(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine

C20H25N7O3 — CID 170763144

IUPAC(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C(/C=N\N)c1cnc(-c2cn(CC3OCC4(CC4)CO3)nn2)c(OC2CC2)c1
InChIInChI=1S/C20H25N7O3/c1-22-15(8-24-21)13-6-17(30-14-2-3-14)19(23-7-13)16-9-27(26-25-16)10-18-28-11-20(4-5-20)12-29-18/h6-9,14,18H,2-5,10-12,21H2,1H3/b22-15-,24-8-
InChIKeyFIGXSQWGLIWYFE-WDGVAOPISA-N
MW411.47 g/mol
LogP1.40
Rot. Bonds7

About (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine

(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine (PubChem CID 170763144) has the molecular formula C20H25N7O3 and a molecular weight of 411.47 g/mol. Its IUPAC name is (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine.

Molecular Properties

Compound Name(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine
PubChem CID170763144
Molecular FormulaC20H25N7O3
Molecular Weight411.47 g/mol
Exact Mass411.20
IUPAC Name(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine
SMILESC/N=C(/C=N\N)c1cnc(-c2cn(CC3OCC4(CC4)CO3)nn2)c(OC2CC2)c1
InChIInChI=1S/C20H25N7O3/c1-22-15(8-24-21)13-6-17(30-14-2-3-14)19(23-7-13)16-9-27(26-25-16)10-18-28-11-20(4-5-20)12-29-18/h6-9,14,18H,2-5,10-12,21H2,1H3/b22-15-,24-8-
InChIKeyFIGXSQWGLIWYFE-WDGVAOPISA-N
XLogP1.40
TPSA122.03 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine with MolForge

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Related Compounds

6-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)imidazol-4-yl]-3-pyridinyl]-2-oxa-6-azaspiro[3.3]heptane
CID 170762898
[1-[6-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-5-propan-2-yloxy-3-pyridinyl]-3-methylazetidin-3-yl]methanol
CID 164857879
5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
CID 164858461
[1-[6-[1-(5,7-dioxaspiro[3.4]octan-6-ylmethyl)triazol-4-yl]-5-propan-2-yloxy-3-pyridinyl]-3-methylazetidin-3-yl]methanol
CID 164856866
1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole
CID 170762993
1-[1-[3-(dimethylamino)-4-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]phenyl]-3-methylazetidin-3-yl]ethanol
CID 170762906
2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methyl-5-[3-(triazol-1-yl)prop-1-ynyl]pyridine
CID 170763187
N-[4-(2-cyclopropylethynyl)-2-hydroxyphenyl]-1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)-N-methyltriazole-4-carboxamide
CID 174288827
N-[4-(2-cyclopropylethynyl)-2-methylphenyl]-1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)-N-methyltriazole-4-carboxamide
CID 170762819
5-(2-cyclopropylethynyl)-N-[[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]methyl]-2-methylaniline
CID 170762689
(2Z)-2-[2-cyclopropyloxy-4-(3,3-dimethylazetidin-1-yl)phenyl]-2-hydrazinylidene-N-methylethanimine;ethane
CID 164858479
N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]pyridin-2-amine
CID 164857218

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine?
The IUPAC name of (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine (CID 170763144) is (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine.
What is the SMILES notation for (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine?
The canonical SMILES for (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine is C/N=C(/C=N\N)c1cnc(-c2cn(CC3OCC4(CC4)CO3)nn2)c(OC2CC2)c1.
What is the InChIKey of (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine?
The InChIKey is FIGXSQWGLIWYFE-WDGVAOPISA-N. The full InChI is InChI=1S/C20H25N7O3/c1-22-15(8-24-21)13-6-17(30-14-2-3-14)19(23-7-13)16-9-27(26-25-16)10-18-28-11-20(4-5-20)12-29-18/h6-9,14,18H,2-5,10-12,21H2,1H3/b22-15-,24-8-.
What are the key properties of (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine?
(2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine has a molecular weight of 411.47 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-[5-cyclopropyloxy-6-[1-(5,7-dioxaspiro[2.5]octan-6-ylmethyl)triazol-4-yl]-3-pyridinyl]-2-hydrazinylidene-N-methylethanimine is sourced from PubChem (CID 170763144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).