2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium

C4H10N5+ — CID 3364740

IUPAC2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium
SMILESNc1n[nH]c(CC[NH3+])n1
InChIInChI=1S/C4H9N5/c5-2-1-3-7-4(6)9-8-3/h1-2,5H2,(H3,6,7,8,9)/p+1
InChIKeyGNNXUWBCKBBJHF-UHFFFAOYSA-O
MW128.16 g/mol
LogP-1.83
Rot. Bonds2

About 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium

2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium (PubChem CID 3364740) has the molecular formula C4H10N5+ and a molecular weight of 128.16 g/mol. Its IUPAC name is 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium.

Molecular Properties

Compound Name2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium
PubChem CID3364740
Molecular FormulaC4H10N5+
Molecular Weight128.16 g/mol
Exact Mass128.09
IUPAC Name2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium
SMILESNc1n[nH]c(CC[NH3+])n1
InChIInChI=1S/C4H9N5/c5-2-1-3-7-4(6)9-8-3/h1-2,5H2,(H3,6,7,8,9)/p+1
InChIKeyGNNXUWBCKBBJHF-UHFFFAOYSA-O
XLogP-1.83
TPSA95.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.16
LogP ≤ 5-1.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium?
The IUPAC name of 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium (CID 3364740) is 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium.
What is the SMILES notation for 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium?
The canonical SMILES for 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium is Nc1n[nH]c(CC[NH3+])n1.
What is the InChIKey of 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium?
The InChIKey is GNNXUWBCKBBJHF-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H9N5/c5-2-1-3-7-4(6)9-8-3/h1-2,5H2,(H3,6,7,8,9)/p+1.
What are the key properties of 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium?
2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium has a molecular weight of 128.16 g/mol, XLogP of -1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1H-1,2,4-triazol-5-yl)ethylazanium is sourced from PubChem (CID 3364740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).