2-methyl-5-propyl-4H-1,2,4-triazol-3-one

C6H11N3O — CID 148778116

IUPAC2-methyl-5-propyl-4H-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c1-3-4-5-7-6(10)9(2)8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyPIPYZDNFEHDGEZ-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.06
Rot. Bonds2

About 2-methyl-5-propyl-4H-1,2,4-triazol-3-one

2-methyl-5-propyl-4H-1,2,4-triazol-3-one (PubChem CID 148778116) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-methyl-5-propyl-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-methyl-5-propyl-4H-1,2,4-triazol-3-one
PubChem CID148778116
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-methyl-5-propyl-4H-1,2,4-triazol-3-one
SMILESCCCc1nn(C)c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c1-3-4-5-7-6(10)9(2)8-5/h3-4H2,1-2H3,(H,7,8,10)
InChIKeyPIPYZDNFEHDGEZ-UHFFFAOYSA-N
XLogP0.06
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propyl-1H-1,2,4-triazol-5(4H)-one
CID 135449528
3-methyl-1-(propan-2-yl)-4,5-dihydro-1H-1,2,4-triazol-5-one
CID 136340527
3H-1,2,4-Triazol-3-one, 2,4-dihydro-2,5-dimethyl-
CID 135541258
5-ethyl-2-methyl-4H-1,2,4-triazol-3-one
CID 136313162
2-(fluoromethyl)-5-methyl-4H-1,2,4-triazol-3-one
CID 141030861
2-Butyl-5-isopropyl-2,4-dihydro-3h-1,2,4-triazol-3-one
CID 169502324
4-methyl-3-propyl-1H-1,2,4-triazol-5-one
CID 12235073
2,4-Dimethyl-5-propyl-1,2,4-triazol-3-one
CID 18737969
5-Ethyl-2,4-dimethyl-1,2,4-triazol-3-one
CID 18737990
5-butyl-2-(2,2-dimethylpropyl)-4H-1,2,4-triazol-3-one
CID 135453824
2-ethyl-5-methyl-4H-1,2,4-triazol-3-one
CID 135722089
5-tert-butyl-2-methyl-4H-1,2,4-triazol-3-one
CID 135733695

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-propyl-4H-1,2,4-triazol-3-one?
The IUPAC name of 2-methyl-5-propyl-4H-1,2,4-triazol-3-one (CID 148778116) is 2-methyl-5-propyl-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 2-methyl-5-propyl-4H-1,2,4-triazol-3-one?
The canonical SMILES for 2-methyl-5-propyl-4H-1,2,4-triazol-3-one is CCCc1nn(C)c(=O)[nH]1.
What is the InChIKey of 2-methyl-5-propyl-4H-1,2,4-triazol-3-one?
The InChIKey is PIPYZDNFEHDGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-3-4-5-7-6(10)9(2)8-5/h3-4H2,1-2H3,(H,7,8,10).
What are the key properties of 2-methyl-5-propyl-4H-1,2,4-triazol-3-one?
2-methyl-5-propyl-4H-1,2,4-triazol-3-one has a molecular weight of 141.17 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-propyl-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 148778116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).