1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide

C7H12N4O2 — CID 136849723

IUPAC1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-4-8-6(12)5-9-7(13)11(2)10-5/h3-4H2,1-2H3,(H,8,12)(H,9,10,13)
InChIKeyKGOQVJHSNLNSAL-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.75
Rot. Bonds3

About 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide

1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide (PubChem CID 136849723) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide
PubChem CID136849723
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide
SMILESCCCNC(=O)c1nn(C)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-3-4-8-6(12)5-9-7(13)11(2)10-5/h3-4H2,1-2H3,(H,8,12)(H,9,10,13)
InChIKeyKGOQVJHSNLNSAL-UHFFFAOYSA-N
XLogP-0.75
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-5-oxo-3-(trifluoromethyl)-4,5-dihydro-1H-1,2,4-triazol-1-yl)-N-propylacetamide
CID 90542331
N-[1-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)ethyl]acetamide
CID 136452483
2-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]propanamide
CID 136951774
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]acetamide
CID 136951777
N,1-dimethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 142157801
5-oxo-1-pentan-2-yl-4H-1,2,4-triazole-3-carboxamide
CID 152709792
1-ethyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 155646204
1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 172235964
2-(4-Amino-3-ethyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 13435526
6-[(3-Aminopropyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5(2H,4H)-dione
CID 33742023
6-(2-Aminoethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 33742042
6-(Ethylamino)-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 43410435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide (CID 136849723) is 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide is CCCNC(=O)c1nn(C)c(=O)[nH]1.
What is the InChIKey of 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide?
The InChIKey is KGOQVJHSNLNSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-3-4-8-6(12)5-9-7(13)11(2)10-5/h3-4H2,1-2H3,(H,8,12)(H,9,10,13).
What are the key properties of 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide?
1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide has a molecular weight of 184.20 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-oxo-N-propyl-4H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 136849723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).