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

C16H27N5O — CID 75473933

IUPAC1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCC(C)c1nnc2n1CC(NC(=O)NC1CCCCC1)CC2
InChIInChI=1S/C16H27N5O/c1-11(2)15-20-19-14-9-8-13(10-21(14)15)18-16(22)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,17,18,22)
InChIKeyDZMRUPZEWCUIDK-UHFFFAOYSA-N
MW305.43 g/mol
LogP2.35
Rot. Bonds3

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

1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (PubChem CID 75473933) has the molecular formula C16H27N5O and a molecular weight of 305.43 g/mol. Its IUPAC name is 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.

Molecular Properties

Compound Name1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
PubChem CID75473933
Molecular FormulaC16H27N5O
Molecular Weight305.43 g/mol
Exact Mass305.22
IUPAC Name1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea
SMILESCC(C)c1nnc2n1CC(NC(=O)NC1CCCCC1)CC2
InChIInChI=1S/C16H27N5O/c1-11(2)15-20-19-14-9-8-13(10-21(14)15)18-16(22)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,17,18,22)
InChIKeyDZMRUPZEWCUIDK-UHFFFAOYSA-N
XLogP2.35
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.43
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The IUPAC name of 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea (CID 75473933) is 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea.
What is the SMILES notation for 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The canonical SMILES for 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is CC(C)c1nnc2n1CC(NC(=O)NC1CCCCC1)CC2.
What is the InChIKey of 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
The InChIKey is DZMRUPZEWCUIDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N5O/c1-11(2)15-20-19-14-9-8-13(10-21(14)15)18-16(22)17-12-6-4-3-5-7-12/h11-13H,3-10H2,1-2H3,(H2,17,18,22).
What are the key properties of 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea?
1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea has a molecular weight of 305.43 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)urea is sourced from PubChem (CID 75473933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).