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

C10H17N3O — CID 126953665

IUPAC2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCc1nn(CC2CC2)c(=O)n1C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)13-8(3)11-12(10(13)14)6-9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyNFPWNNGSOBMQPN-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.34
Rot. Bonds3

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

2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one (PubChem CID 126953665) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one
PubChem CID126953665
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one
SMILESCc1nn(CC2CC2)c(=O)n1C(C)C
InChIInChI=1S/C10H17N3O/c1-7(2)13-8(3)11-12(10(13)14)6-9-4-5-9/h7,9H,4-6H2,1-3H3
InChIKeyNFPWNNGSOBMQPN-UHFFFAOYSA-N
XLogP1.34
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 ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one (CID 126953665) is 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one is Cc1nn(CC2CC2)c(=O)n1C(C)C.
What is the InChIKey of 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
The InChIKey is NFPWNNGSOBMQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-7(2)13-8(3)11-12(10(13)14)6-9-4-5-9/h7,9H,4-6H2,1-3H3.
What are the key properties of 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one?
2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one has a molecular weight of 195.27 g/mol, XLogP of 1.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-methyl-4-propan-2-yl-1,2,4-triazol-3-one is sourced from PubChem (CID 126953665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).