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

C9H17N5O — CID 80683065

IUPAC3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1ncn(C)n1
InChIInChI=1S/C9H17N5O/c1-7(10)5-9(15)11-4-3-8-12-6-14(2)13-8/h6-7H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyYBHWEACXXUGLQK-UHFFFAOYSA-N
MW211.27 g/mol
LogP-0.79
Rot. Bonds5

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

3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (PubChem CID 80683065) has the molecular formula C9H17N5O and a molecular weight of 211.27 g/mol. Its IUPAC name is 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
PubChem CID80683065
Molecular FormulaC9H17N5O
Molecular Weight211.27 g/mol
Exact Mass211.14
IUPAC Name3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
SMILESCC(N)CC(=O)NCCc1ncn(C)n1
InChIInChI=1S/C9H17N5O/c1-7(10)5-9(15)11-4-3-8-12-6-14(2)13-8/h6-7H,3-5,10H2,1-2H3,(H,11,15)
InChIKeyYBHWEACXXUGLQK-UHFFFAOYSA-N
XLogP-0.79
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 ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682364
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-2-sulfanylacetamide
CID 80686448
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-oxobutanamide
CID 80682025
(2R)-2-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 103797782
6-amino-4-ethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]hexanamide
CID 80682085
3-amino-3-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide
CID 80682439
3-chloro-2-methyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682330
2-[2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]-2-oxoethyl]sulfanylacetic acid
CID 104570161
2-methyl-3-(methylamino)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80682981
2-(4-aminophenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 80680888
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 112605558
(2S)-2-amino-3-(4-hydroxyphenyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]propanamide
CID 80685029

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide (CID 80683065) is 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is CC(N)CC(=O)NCCc1ncn(C)n1.
What is the InChIKey of 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
The InChIKey is YBHWEACXXUGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5O/c1-7(10)5-9(15)11-4-3-8-12-6-14(2)13-8/h6-7H,3-5,10H2,1-2H3,(H,11,15).
What are the key properties of 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide?
3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide has a molecular weight of 211.27 g/mol, XLogP of -0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 80683065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).