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

C9H17N5O — CID 14852966

IUPACN-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nnc(NC)n1C
InChIInChI=1S/C9H17N5O/c1-5-6(2)11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15)
InChIKeyQMFVHXMCUALHQJ-UHFFFAOYSA-N
MW211.27 g/mol
LogP0.39
Rot. Bonds4

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

N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide (PubChem CID 14852966) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide
PubChem CID14852966
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC NameN-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide
SMILESCCC(C)NC(=O)c1nnc(NC)n1C
InChIInChI=1S/C9H17N5O/c1-5-6(2)11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15)
InChIKeyQMFVHXMCUALHQJ-UHFFFAOYSA-N
XLogP0.39
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide (CID 14852966) is N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide is CCC(C)NC(=O)c1nnc(NC)n1C.
What is the InChIKey of N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide?
The InChIKey is QMFVHXMCUALHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-5-6(2)11-8(15)7-12-13-9(10-3)14(7)4/h6H,5H2,1-4H3,(H,10,13)(H,11,15).
What are the key properties of N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide?
N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide has a molecular weight of 211.27 g/mol, XLogP of 0.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-methyl-5-(methylamino)-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 14852966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).