1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine

C19H26N6O — CID 119162240

IUPAC1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
SMILESC/N=C(/NC1CCc2ncnn2C1)NC1CC1(C)c1ccccc1OC
InChIInChI=1S/C19H26N6O/c1-19(14-6-4-5-7-15(14)26-3)10-16(19)24-18(20-2)23-13-8-9-17-21-12-22-25(17)11-13/h4-7,12-13,16H,8-11H2,1-3H3,(H2,20,23,24)
InChIKeyGBVCRYWEZGGWON-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.50
Rot. Bonds4

About 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine

1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine (PubChem CID 119162240) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
PubChem CID119162240
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
SMILESC/N=C(/NC1CCc2ncnn2C1)NC1CC1(C)c1ccccc1OC
InChIInChI=1S/C19H26N6O/c1-19(14-6-4-5-7-15(14)26-3)10-16(19)24-18(20-2)23-13-8-9-17-21-12-22-25(17)11-13/h4-7,12-13,16H,8-11H2,1-3H3,(H2,20,23,24)
InChIKeyGBVCRYWEZGGWON-UHFFFAOYSA-N
XLogP1.50
TPSA76.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(1-pyrimidin-2-ylpiperidin-3-yl)guanidine;hydroiodide
CID 119161993
1-(1-cyclopropylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine;hydroiodide
CID 119161827
1-(1-cyclopentylpiperidin-4-yl)-3-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methylguanidine
CID 119161874
2-methyl-1-(naphthalen-1-ylmethyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 111978331
1-(2-fluoro-6-methoxyphenyl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 119034653
2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(3,3,3-trifluoro-2-hydroxy-2-phenylpropyl)guanidine
CID 119157158
1-[2-(4-bromophenyl)ethyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 119153963
1-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119152630
2-methyl-1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-[3-[3-(trifluoromethyl)phenyl]prop-2-ynyl]guanidine;hydroiodide
CID 111994568
1-[2-(2-propan-2-ylphenoxy)ethyl]-3-[(6S)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]urea
CID 124559557
1-[2-(5-chlorothiophen-2-yl)-2-hydroxyethyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine
CID 119156239
1-ethyl-2-[(1-methylcyclopropyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine;hydroiodide
CID 119162321

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?
The IUPAC name of 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine (CID 119162240) is 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?
The canonical SMILES for 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine is C/N=C(/NC1CCc2ncnn2C1)NC1CC1(C)c1ccccc1OC.
What is the InChIKey of 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?
The InChIKey is GBVCRYWEZGGWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-19(14-6-4-5-7-15(14)26-3)10-16(19)24-18(20-2)23-13-8-9-17-21-12-22-25(17)11-13/h4-7,12-13,16H,8-11H2,1-3H3,(H2,20,23,24).
What are the key properties of 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine?
1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine has a molecular weight of 354.46 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)-2-methylcyclopropyl]-2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)guanidine is sourced from PubChem (CID 119162240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).