3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide

C9H17N5O — CID 60837807

IUPAC3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H17N5O/c1-6(10)4-8(15)12-7(2)9-13-11-5-14(9)3/h5-7H,4,10H2,1-3H3,(H,12,15)
InChIKeyILIDFJALBWVJDL-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.27
Rot. Bonds4

About 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide

3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (PubChem CID 60837807) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
PubChem CID60837807
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NC(C)c1nncn1C
InChIInChI=1S/C9H17N5O/c1-6(10)4-8(15)12-7(2)9-13-11-5-14(9)3/h5-7H,4,10H2,1-3H3,(H,12,15)
InChIKeyILIDFJALBWVJDL-UHFFFAOYSA-N
XLogP-0.27
TPSA85.83 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 ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 82847987
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide
CID 43706336
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-sulfanylidenepropanamide
CID 62117174
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylpropanamide;dihydrochloride
CID 119953214
5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 54867804
6-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-6-oxohexanoic acid
CID 54867805
3-hydroxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-4-phenylbutanamide
CID 122146140
3-amino-N-(4-methyl-1,2,4-triazol-3-yl)butanamide
CID 130993463
3,3-dimethyl-5-[1-(4-methyl-1,2,4-triazol-3-yl)ethylamino]-5-oxopentanoic acid
CID 62933200
(3R)-4,4,4-trifluoro-N-[(1S)-1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylbutanamide
CID 95294333
1-(4-methyl-1,2,4-triazol-3-yl)ethylthiourea
CID 62116971
2-(aminomethyl)-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 55038246

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (CID 60837807) is 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is CC(N)CC(=O)NC(C)c1nncn1C.
What is the InChIKey of 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The InChIKey is ILIDFJALBWVJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-6(10)4-8(15)12-7(2)9-13-11-5-14(9)3/h5-7H,4,10H2,1-3H3,(H,12,15).
What are the key properties of 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide has a molecular weight of 211.27 g/mol, XLogP of -0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 60837807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).