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

C9H16N6O2 — CID 63330292

IUPAC2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
SMILESCn1cnnc1CCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H16N6O2/c1-15-5-13-14-8(15)2-3-12-9(17)6(10)4-7(11)16/h5-6H,2-4,10H2,1H3,(H2,11,16)(H,12,17)
InChIKeyFBEJJGBDICUYFK-UHFFFAOYSA-N
MW240.27 g/mol
LogP-2.32
Rot. Bonds6

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

2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide (PubChem CID 63330292) has the molecular formula C9H16N6O2 and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide.

Molecular Properties

Compound Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
PubChem CID63330292
Molecular FormulaC9H16N6O2
Molecular Weight240.27 g/mol
Exact Mass240.13
IUPAC Name2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide
SMILESCn1cnnc1CCNC(=O)C(N)CC(N)=O
InChIInChI=1S/C9H16N6O2/c1-15-5-13-14-8(15)2-3-12-9(17)6(10)4-7(11)16/h5-6H,2-4,10H2,1H3,(H2,11,16)(H,12,17)
InChIKeyFBEJJGBDICUYFK-UHFFFAOYSA-N
XLogP-2.32
TPSA128.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 5-2.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The IUPAC name of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide (CID 63330292) is 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide.
What is the SMILES notation for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The canonical SMILES for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide is Cn1cnnc1CCNC(=O)C(N)CC(N)=O.
What is the InChIKey of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide?
The InChIKey is FBEJJGBDICUYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N6O2/c1-15-5-13-14-8(15)2-3-12-9(17)6(10)4-7(11)16/h5-6H,2-4,10H2,1H3,(H2,11,16)(H,12,17).
What are the key properties of 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide?
2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide has a molecular weight of 240.27 g/mol, XLogP of -2.32, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]butanediamide is sourced from PubChem (CID 63330292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).