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

C14H23N5O2 — CID 128642390

IUPAC1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NCC1(O)CCCCC1)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C14H23N5O2/c20-13(15-10-14(21)7-3-1-4-8-14)17-12-16-11-6-2-5-9-19(11)18-12/h21H,1-10H2,(H2,15,17,18,20)
InChIKeyCQIBMMWIOHOKBM-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.43
Rot. Bonds3

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

1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (PubChem CID 128642390) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.

Molecular Properties

Compound Name1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
PubChem CID128642390
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC Name1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea
SMILESO=C(NCC1(O)CCCCC1)Nc1nc2n(n1)CCCC2
InChIInChI=1S/C14H23N5O2/c20-13(15-10-14(21)7-3-1-4-8-14)17-12-16-11-6-2-5-9-19(11)18-12/h21H,1-10H2,(H2,15,17,18,20)
InChIKeyCQIBMMWIOHOKBM-UHFFFAOYSA-N
XLogP1.43
TPSA92.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The IUPAC name of 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea (CID 128642390) is 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea.
What is the SMILES notation for 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The canonical SMILES for 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is O=C(NCC1(O)CCCCC1)Nc1nc2n(n1)CCCC2.
What is the InChIKey of 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
The InChIKey is CQIBMMWIOHOKBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c20-13(15-10-14(21)7-3-1-4-8-14)17-12-16-11-6-2-5-9-19(11)18-12/h21H,1-10H2,(H2,15,17,18,20).
What are the key properties of 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea?
1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea has a molecular weight of 293.37 g/mol, XLogP of 1.43, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxycyclohexyl)methyl]-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)urea is sourced from PubChem (CID 128642390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).