2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide

C5H10N6O — CID 52903764

IUPAC2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide
SMILESNCC(=O)Nn1cnnc1CN
InChIInChI=1S/C5H10N6O/c6-1-4-9-8-3-11(4)10-5(12)2-7/h3H,1-2,6-7H2,(H,10,12)
InChIKeyVCFMRPDMPBOEPX-UHFFFAOYSA-N
MW170.18 g/mol
LogP-2.23
Rot. Bonds3

About 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide

2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide (PubChem CID 52903764) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide
PubChem CID52903764
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC Name2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide
SMILESNCC(=O)Nn1cnnc1CN
InChIInChI=1S/C5H10N6O/c6-1-4-9-8-3-11(4)10-5(12)2-7/h3H,1-2,6-7H2,(H,10,12)
InChIKeyVCFMRPDMPBOEPX-UHFFFAOYSA-N
XLogP-2.23
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-2.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide?
The IUPAC name of 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide (CID 52903764) is 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide.
What is the SMILES notation for 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide?
The canonical SMILES for 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide is NCC(=O)Nn1cnnc1CN.
What is the InChIKey of 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide?
The InChIKey is VCFMRPDMPBOEPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c6-1-4-9-8-3-11(4)10-5(12)2-7/h3H,1-2,6-7H2,(H,10,12).
What are the key properties of 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide?
2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide has a molecular weight of 170.18 g/mol, XLogP of -2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(aminomethyl)-1,2,4-triazol-4-yl]acetamide is sourced from PubChem (CID 52903764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).