N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

C9H16N4O — CID 64510292

IUPACN,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCC(C)CC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(2)4-9(14)13(3)5-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWGGGFLCPXPBOFR-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.81
Rot. Bonds4

About N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide

N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (PubChem CID 64510292) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.

Molecular Properties

Compound NameN,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
PubChem CID64510292
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC NameN,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
SMILESCC(C)CC(=O)N(C)Cc1ncn[nH]1
InChIInChI=1S/C9H16N4O/c1-7(2)4-9(14)13(3)5-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12)
InChIKeyWGGGFLCPXPBOFR-UHFFFAOYSA-N
XLogP0.81
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 81080305
N-methyl-2-propan-2-yloxy-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 112695743
N-methyl-2-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64518263
4-amino-3-methoxy-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 103155987
N-methyl-3-(propan-2-ylamino)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64517093
4-amino-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 64519801
4-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide
CID 80545154
N-methyl-2-(4-methylphenyl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64510523
2-methyl-3-[[methyl(1H-1,2,4-triazol-5-ylmethyl)carbamoyl]amino]butanoic acid
CID 113416605
2-amino-N,2-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 64519414
2-(2-fluorophenyl)sulfanyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 64512642
N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)hept-6-ynamide
CID 103908758

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The IUPAC name of N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide (CID 64510292) is N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide.
What is the SMILES notation for N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The canonical SMILES for N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is CC(C)CC(=O)N(C)Cc1ncn[nH]1.
What is the InChIKey of N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
The InChIKey is WGGGFLCPXPBOFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-7(2)4-9(14)13(3)5-8-10-6-11-12-8/h6-7H,4-5H2,1-3H3,(H,10,11,12).
What are the key properties of N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide?
N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide has a molecular weight of 196.25 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)butanamide is sourced from PubChem (CID 64510292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).