2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one

C10H17N3O — CID 126953751

IUPAC2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)c1nn(CC2CC2)c(=O)n1C
InChIInChI=1S/C10H17N3O/c1-7(2)9-11-13(6-8-4-5-8)10(14)12(9)3/h7-8H,4-6H2,1-3H3
InChIKeyVPMSOSUXGKXUIE-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.12
Rot. Bonds3

About 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one

2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 126953751) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one
PubChem CID126953751
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one
SMILESCC(C)c1nn(CC2CC2)c(=O)n1C
InChIInChI=1S/C10H17N3O/c1-7(2)9-11-13(6-8-4-5-8)10(14)12(9)3/h7-8H,4-6H2,1-3H3
InChIKeyVPMSOSUXGKXUIE-UHFFFAOYSA-N
XLogP1.12
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-Diethyl-2-propyl-1,2,4-triazol-3-one
CID 154699959
1-(cyclopropylmethyl)-3-methyl-4-(2,2,2-trifluoroethyl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953692
4-Methyl-5-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,2,4-triazol-3-one
CID 132131481
2-Butyl-5-isopropyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 169502324
4-(cyclopropylmethyl)-3-(fluoromethyl)-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953631
1-(cyclopropylmethyl)-3-(fluoromethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953639
3-cyclopropyl-1-(2,2-difluoroethyl)-4-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 126953727
2,4-Dimethyl-5-propan-2-yl-1,2,4-triazol-3-one
CID 18338552
3,4-dicyclopropyl-1-methyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737973
3-cyclopropyl-1,4-dimethyl-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 18737987
2,4,5-Tri(propan-2-yl)-1,2,4-triazol-3-one
CID 20577288
4,5-Dicyclopropyl-2-ethyl-1,2,4-triazol-3-one
CID 20731862

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one (CID 126953751) is 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one is CC(C)c1nn(CC2CC2)c(=O)n1C.
What is the InChIKey of 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is VPMSOSUXGKXUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)9-11-13(6-8-4-5-8)10(14)12(9)3/h7-8H,4-6H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one?
2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-4-methyl-5-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).