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

C17H31N5O2 — CID 86800441

IUPAC1-(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
SMILESCC(C)c1nc2n(n1)CC(NC(=O)NC(CCO)C(C)(C)C)CC2
InChIInChI=1S/C17H31N5O2/c1-11(2)15-20-14-7-6-12(10-22(14)21-15)18-16(24)19-13(8-9-23)17(3,4)5/h11-13,23H,6-10H2,1-5H3,(H2,18,19,24)
InChIKeyXYAMABRTMCOQTD-UHFFFAOYSA-N
MW337.47 g/mol
LogP1.81
Rot. Bonds5

About 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

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 (PubChem CID 86800441) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID86800441
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name1-(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
SMILESCC(C)c1nc2n(n1)CC(NC(=O)NC(CCO)C(C)(C)C)CC2
InChIInChI=1S/C17H31N5O2/c1-11(2)15-20-14-7-6-12(10-22(14)21-15)18-16(24)19-13(8-9-23)17(3,4)5/h11-13,23H,6-10H2,1-5H3,(H2,18,19,24)
InChIKeyXYAMABRTMCOQTD-UHFFFAOYSA-N
XLogP1.81
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)c1nc2n(n1)CC(NC(=O)NC(CCO)C(C)(C)C)CC2.
What is the InChIKey of 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?
The InChIKey is XYAMABRTMCOQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-11(2)15-20-14-7-6-12(10-22(14)21-15)18-16(24)19-13(8-9-23)17(3,4)5/h11-13,23H,6-10H2,1-5H3,(H2,18,19,24).
What are the key properties of 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?
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 has a molecular weight of 337.47 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 86800441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).