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

C13H19N5O — CID 107078733

IUPAC1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one
SMILESCC(C)n1ccn(Cc2nnc3n2CCCC3)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)17-8-7-16(13(17)19)9-12-15-14-11-5-3-4-6-18(11)12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyXAZJEJWHOYWBNM-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.21
Rot. Bonds3

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

1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one (PubChem CID 107078733) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one.

Molecular Properties

Compound Name1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one
PubChem CID107078733
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one
SMILESCC(C)n1ccn(Cc2nnc3n2CCCC3)c1=O
InChIInChI=1S/C13H19N5O/c1-10(2)17-8-7-16(13(17)19)9-12-15-14-11-5-3-4-6-18(11)12/h7-8,10H,3-6,9H2,1-2H3
InChIKeyXAZJEJWHOYWBNM-UHFFFAOYSA-N
XLogP1.21
TPSA57.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2-propan-2-ylimidazol-1-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 113361809
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrimidin-2-one
CID 107078714
1-[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-yl]ethanone
CID 107077895
3-propan-2-yl-7-[4-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897472
N-[[1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-yl]methyl]cyclopropanamine
CID 107078498
3-[(5-bromo-3-propan-2-ylpyrazol-1-yl)methyl]-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 136560748
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-amine
CID 43356761
(2R)-2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethoxy)propanoic acid
CID 107076457
1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 107076242
N-[2-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]propan-2-amine
CID 81057329
2-methyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-1-amine
CID 81073221
methyl 1-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 113229250

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one?
The IUPAC name of 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one (CID 107078733) is 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one.
What is the SMILES notation for 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one?
The canonical SMILES for 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one is CC(C)n1ccn(Cc2nnc3n2CCCC3)c1=O.
What is the InChIKey of 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one?
The InChIKey is XAZJEJWHOYWBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)17-8-7-16(13(17)19)9-12-15-14-11-5-3-4-6-18(11)12/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one?
1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one has a molecular weight of 261.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)imidazol-2-one is sourced from PubChem (CID 107078733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).