1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

C16H27N5O2 — CID 111932607

IUPAC1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C16H27N5O2/c1-11-18-14-12(6-5-9-21(14)20-11)19-15(23)17-10-16(2)8-4-3-7-13(16)22/h12-13,22H,3-10H2,1-2H3,(H2,17,19,23)
InChIKeyLYPMGWJJHMXJKV-UHFFFAOYSA-N
MW321.43 g/mol
LogP1.66
Rot. Bonds3

About 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea

1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (PubChem CID 111932607) has the molecular formula C16H27N5O2 and a molecular weight of 321.43 g/mol. Its IUPAC name is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.

Molecular Properties

Compound Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
PubChem CID111932607
Molecular FormulaC16H27N5O2
Molecular Weight321.43 g/mol
Exact Mass321.22
IUPAC Name1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
SMILESCc1nc2n(n1)CCCC2NC(=O)NCC1(C)CCCCC1O
InChIInChI=1S/C16H27N5O2/c1-11-18-14-12(6-5-9-21(14)20-11)19-15(23)17-10-16(2)8-4-3-7-13(16)22/h12-13,22H,3-10H2,1-2H3,(H2,17,19,23)
InChIKeyLYPMGWJJHMXJKV-UHFFFAOYSA-N
XLogP1.66
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea with MolForge

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Related Compounds

1-(2-Cyclohexyl-2-hydroxypropyl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 121524019
1-[(2-Tert-butyloxolan-3-yl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 71923177
1-(3-Ethoxy-2,2-diethylcyclobutyl)-3-(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)urea
CID 71923758
N-(3-ethoxyspiro[3.5]nonan-1-yl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75472038
1-(2-Pentan-3-yloxan-4-yl)-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea
CID 75499239
N-(3-ethoxyspiro[3.5]nonan-1-yl)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 75516211
1-(1-Hydroxy-4,4-dimethylpentan-3-yl)-3-(2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea
CID 86800441
1-[(1R,3R)-3-ethoxy-2,2-diethylcyclobutyl]-3-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]urea
CID 96562960
1-[(1S,3R)-3-ethoxy-2,2-diethylcyclobutyl]-3-[(8R)-3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl]urea
CID 96562961
1-[[(2S,3S)-2-tert-butyloxolan-3-yl]methyl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97074623
1-[[(2S,3R)-2-tert-butyloxolan-3-yl]methyl]-3-[(8S)-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl]urea
CID 97074625
(8R)-N-[(1S,3R)-3-ethoxyspiro[3.5]nonan-1-yl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-amine
CID 97336283

Frequently Asked Questions

What is the IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The IUPAC name of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea (CID 111932607) is 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea.
What is the SMILES notation for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The canonical SMILES for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is Cc1nc2n(n1)CCCC2NC(=O)NCC1(C)CCCCC1O.
What is the InChIKey of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
The InChIKey is LYPMGWJJHMXJKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O2/c1-11-18-14-12(6-5-9-21(14)20-11)19-15(23)17-10-16(2)8-4-3-7-13(16)22/h12-13,22H,3-10H2,1-2H3,(H2,17,19,23).
What are the key properties of 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea?
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea has a molecular weight of 321.43 g/mol, XLogP of 1.66, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)urea is sourced from PubChem (CID 111932607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).