2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide

C9H17N5O — CID 64704063

IUPAC2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide
SMILESCNC(C)(CC(C)n1cncn1)C(N)=O
InChIInChI=1S/C9H17N5O/c1-7(14-6-12-5-13-14)4-9(2,11-3)8(10)15/h5-7,11H,4H2,1-3H3,(H2,10,15)
InChIKeyJNRLBKRGGCXJKA-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.31
Rot. Bonds5

About 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide

2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide (PubChem CID 64704063) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide.

Molecular Properties

Compound Name2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide
PubChem CID64704063
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide
SMILESCNC(C)(CC(C)n1cncn1)C(N)=O
InChIInChI=1S/C9H17N5O/c1-7(14-6-12-5-13-14)4-9(2,11-3)8(10)15/h5-7,11H,4H2,1-3H3,(H2,10,15)
InChIKeyJNRLBKRGGCXJKA-UHFFFAOYSA-N
XLogP-0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide?
The IUPAC name of 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide (CID 64704063) is 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide.
What is the SMILES notation for 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide?
The canonical SMILES for 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide is CNC(C)(CC(C)n1cncn1)C(N)=O.
What is the InChIKey of 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide?
The InChIKey is JNRLBKRGGCXJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(14-6-12-5-13-14)4-9(2,11-3)8(10)15/h5-7,11H,4H2,1-3H3,(H2,10,15).
What are the key properties of 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide?
2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide has a molecular weight of 211.27 g/mol, XLogP of -0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(methylamino)-4-(1,2,4-triazol-1-yl)pentanamide is sourced from PubChem (CID 64704063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).