3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide

C9H17N5O2 — CID 14404855

IUPAC3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-6(2)10-8(15)14-9(16)13(5)7(11-14)12(3)4/h6H,1-5H3,(H,10,15)
InChIKeySAAFDZGFNHINOY-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.39
Rot. Bonds2

About 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide

3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide (PubChem CID 14404855) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
PubChem CID14404855
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC Name3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
SMILESCC(C)NC(=O)n1nc(N(C)C)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-6(2)10-8(15)14-9(16)13(5)7(11-14)12(3)4/h6H,1-5H3,(H,10,15)
InChIKeySAAFDZGFNHINOY-UHFFFAOYSA-N
XLogP-0.39
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one
CID 391621
N-(1,3-difluoro-2-methylpropan-2-yl)-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 14404892
3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
CID 14349663
N-cyclohexyl-3-(dimethylamino)-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 14404865
N-tert-butyl-3-methoxy-4-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 15003619
N-tert-butyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15055964
N,N-diethyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15055966
N-cyclohexyl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15055969
N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15055990
4-amino-N-tert-butyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15116911
4-amino-N-tert-butyl-3-(dimethylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15116926
N-tert-butyl-N-chloro-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 19773900

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide (CID 14404855) is 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide is CC(C)NC(=O)n1nc(N(C)C)n(C)c1=O.
What is the InChIKey of 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
The InChIKey is SAAFDZGFNHINOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-6(2)10-8(15)14-9(16)13(5)7(11-14)12(3)4/h6H,1-5H3,(H,10,15).
What are the key properties of 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide?
3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 14404855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).