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

C18H31N5O2 — CID 84597119

IUPAC1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea
SMILESCOCc1nc2n(n1)CC(NC(=O)NCC1(C)CCCCCC1)CC2
InChIInChI=1S/C18H31N5O2/c1-18(9-5-3-4-6-10-18)13-19-17(24)20-14-7-8-16-21-15(12-25-2)22-23(16)11-14/h14H,3-13H2,1-2H3,(H2,19,20,24)
InChIKeyRLYPYZWAQPIIGA-UHFFFAOYSA-N
MW349.48 g/mol
LogP2.40
Rot. Bonds5

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

1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea (PubChem CID 84597119) has the molecular formula C18H31N5O2 and a molecular weight of 349.48 g/mol. Its IUPAC name is 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea.

Molecular Properties

Compound Name1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea
PubChem CID84597119
Molecular FormulaC18H31N5O2
Molecular Weight349.48 g/mol
Exact Mass349.25
IUPAC Name1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea
SMILESCOCc1nc2n(n1)CC(NC(=O)NCC1(C)CCCCCC1)CC2
InChIInChI=1S/C18H31N5O2/c1-18(9-5-3-4-6-10-18)13-19-17(24)20-14-7-8-16-21-15(12-25-2)22-23(16)11-14/h14H,3-13H2,1-2H3,(H2,19,20,24)
InChIKeyRLYPYZWAQPIIGA-UHFFFAOYSA-N
XLogP2.40
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.48
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]carbamate
CID 102559562
(2R,4aS,8aR)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 97243984
(2R,4aR,8aS)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777116
(2R,4aS,8aS)-N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 124777115
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-(3-methylimidazol-4-yl)acetamide
CID 154794226
N-[(6S)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-4,5-dimethylthiophene-3-carboxamide
CID 124614996
N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2,3-dihydro-1H-indene-4-carboxamide
CID 127457813
6-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-2-carboxylic acid
CID 122054319
3-cyclobutyl-N-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-1,4-thiazepane-4-carboxamide
CID 167861292
1-cyclohexyl-3-[(1-methylcyclobutyl)methyl]urea
CID 103735099
ethyl 2-[[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-4-methylpyrimidine-5-carboxylate
CID 166202903
N-[(6R)-2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-2-oxo-6-propan-2-yl-1H-pyridine-4-carboxamide
CID 124615685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea?
The IUPAC name of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea (CID 84597119) is 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea.
What is the SMILES notation for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea?
The canonical SMILES for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea is COCc1nc2n(n1)CC(NC(=O)NCC1(C)CCCCCC1)CC2.
What is the InChIKey of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea?
The InChIKey is RLYPYZWAQPIIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O2/c1-18(9-5-3-4-6-10-18)13-19-17(24)20-14-7-8-16-21-15(12-25-2)22-23(16)11-14/h14H,3-13H2,1-2H3,(H2,19,20,24).
What are the key properties of 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea?
1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea has a molecular weight of 349.48 g/mol, XLogP of 2.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methoxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-3-[(1-methylcycloheptyl)methyl]urea is sourced from PubChem (CID 84597119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).