N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide

C9H17N5O2 — CID 15055990

IUPACN-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(NC)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-5-6(2)11-8(15)14-9(16)13(4)7(10-3)12-14/h6H,5H2,1-4H3,(H,10,12)(H,11,15)
InChIKeyGOAGFCMTLIFIBC-UHFFFAOYSA-N
MW227.27 g/mol
LogP-0.02
Rot. Bonds3

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

N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (PubChem CID 15055990) has the molecular formula C9H17N5O2 and a molecular weight of 227.27 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
PubChem CID15055990
Molecular FormulaC9H17N5O2
Molecular Weight227.27 g/mol
Exact Mass227.14
IUPAC NameN-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
SMILESCCC(C)NC(=O)n1nc(NC)n(C)c1=O
InChIInChI=1S/C9H17N5O2/c1-5-6(2)11-8(15)14-9(16)13(4)7(10-3)12-14/h6H,5H2,1-4H3,(H,10,12)(H,11,15)
InChIKeyGOAGFCMTLIFIBC-UHFFFAOYSA-N
XLogP-0.02
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-isopropyl-3-(isopropylamino)-1H-1,2,4-triazol-5-one
CID 391621
3,4-dimethyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
CID 14349663
3-(dimethylamino)-4-methyl-5-oxo-N-propan-2-yl-1,2,4-triazole-1-carboxamide
CID 14404855
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-cyclopentyl-3-(dimethylamino)-4-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide
CID 15116909
3-(dimethylamino)-N-(2,2-dimethylpropyl)-2-methyl-5-oxo-1,2,4-triazole-1-carboxamide
CID 19739581
5-(Dimethylamino)-4-methyl-2-[(propan-2-ylamino)methyl]-1,2,4-triazol-3-one
CID 53768103
3-(Dimethylamino)-4-methyl-5-oxo-1-propan-2-yl-1,2,4-triazol-1-ium-1-carboxamide
CID 54195685

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The IUPAC name of N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide (CID 15055990) is N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The canonical SMILES for N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is CCC(C)NC(=O)n1nc(NC)n(C)c1=O.
What is the InChIKey of N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
The InChIKey is GOAGFCMTLIFIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O2/c1-5-6(2)11-8(15)14-9(16)13(4)7(10-3)12-14/h6H,5H2,1-4H3,(H,10,12)(H,11,15).
What are the key properties of N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide?
N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide has a molecular weight of 227.27 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyl-3-(methylamino)-5-oxo-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 15055990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).