1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole

C15H22N6O2 — CID 170762993

IUPAC1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole
SMILESCC1(C)COC(Cn2cc(-c3cn(CC4CC4)nn3)nn2)OC1
InChIInChI=1S/C15H22N6O2/c1-15(2)9-22-14(23-10-15)8-21-7-13(17-19-21)12-6-20(18-16-12)5-11-3-4-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyRVIYSPAEQXPDHU-UHFFFAOYSA-N
MW318.38 g/mol
LogP1.35
Rot. Bonds5

About 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole

1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole (PubChem CID 170762993) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole
PubChem CID170762993
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole
SMILESCC1(C)COC(Cn2cc(-c3cn(CC4CC4)nn3)nn2)OC1
InChIInChI=1S/C15H22N6O2/c1-15(2)9-22-14(23-10-15)8-21-7-13(17-19-21)12-6-20(18-16-12)5-11-3-4-11/h6-7,11,14H,3-5,8-10H2,1-2H3
InChIKeyRVIYSPAEQXPDHU-UHFFFAOYSA-N
XLogP1.35
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-cyclopropyl-2-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylpyridine
CID 164858461
4-[2-[4-(cyclopropylmethyl)phenyl]ethynyl]-1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazole
CID 170763077
1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]-N-(4-methoxyphenyl)-N-methyltriazol-4-amine
CID 170763097
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
[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
4-[[2-chloro-5-(2-cyclopropylethynyl)phenyl]methyl]-1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazole
CID 170762875
1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-4-(1-pyridin-2-ylcyclopropyl)piperazine
CID 170763044
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
N-[[1-[4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-3-methylphenyl]-3-methylazetidin-3-yl]methyl]-N-methylpyridin-2-amine
CID 170762932
1-[4-chloro-3-[[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]-methylamino]phenyl]ethanone
CID 170763047
(1S)-1-[1-(cyclopropylmethyl)triazol-4-yl]ethanol
CID 130567336
4-[4-(2-cyclopropylethynyl)-2-methylphenyl]-1-[[(2R)-4,4-dimethyloxolan-2-yl]methyl]triazole
CID 164857728

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole?
The IUPAC name of 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole (CID 170762993) is 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole.
What is the SMILES notation for 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole?
The canonical SMILES for 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole is CC1(C)COC(Cn2cc(-c3cn(CC4CC4)nn3)nn2)OC1.
What is the InChIKey of 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole?
The InChIKey is RVIYSPAEQXPDHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-15(2)9-22-14(23-10-15)8-21-7-13(17-19-21)12-6-20(18-16-12)5-11-3-4-11/h6-7,11,14H,3-5,8-10H2,1-2H3.
What are the key properties of 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole?
1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole has a molecular weight of 318.38 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-4-[1-[(5,5-dimethyl-1,3-dioxan-2-yl)methyl]triazol-4-yl]triazole is sourced from PubChem (CID 170762993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).