2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide

C8H14N6O2 — CID 64529554

IUPAC2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c9-5(3-6(10)15)8(16)11-2-1-7-12-4-13-14-7/h4-5H,1-3,9H2,(H2,10,15)(H,11,16)(H,12,13,14)
InChIKeyREVGZABOZMXAQZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP-2.33
Rot. Bonds6

About 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide

2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide (PubChem CID 64529554) has the molecular formula C8H14N6O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
PubChem CID64529554
Molecular FormulaC8H14N6O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide
SMILESNC(=O)CC(N)C(=O)NCCc1ncn[nH]1
InChIInChI=1S/C8H14N6O2/c9-5(3-6(10)15)8(16)11-2-1-7-12-4-13-14-7/h4-5H,1-3,9H2,(H2,10,15)(H,11,16)(H,12,13,14)
InChIKeyREVGZABOZMXAQZ-UHFFFAOYSA-N
XLogP-2.33
TPSA139.78 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 5-2.33
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 79023094
2-amino-3-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 81102196
(2S)-2-amino-4-methyl-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 64531146
(2S)-4-amino-4-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylcarbamoylamino]butanoic acid
CID 64525694
6-amino-2-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]heptanamide
CID 65291250
3-amino-2-methoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 106112977
(2R)-2-amino-4-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pentanamide
CID 104903173
1,1-dimethyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 79153968
1-amino-2-methyl-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]guanidine
CID 104882301
2-(carbamoylamino)-4-methylsulfanyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546065
methyl 2-oxo-2-[2-(1H-1,2,4-triazol-5-yl)ethylamino]acetate
CID 112617333
(2R)-2-amino-N-[2-(4-chlorophenyl)ethyl]butanediamide
CID 83340796

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide (CID 64529554) is 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide is NC(=O)CC(N)C(=O)NCCc1ncn[nH]1.
What is the InChIKey of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide?
The InChIKey is REVGZABOZMXAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N6O2/c9-5(3-6(10)15)8(16)11-2-1-7-12-4-13-14-7/h4-5H,1-3,9H2,(H2,10,15)(H,11,16)(H,12,13,14).
What are the key properties of 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide?
2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide has a molecular weight of 226.24 g/mol, XLogP of -2.33, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanediamide is sourced from PubChem (CID 64529554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).