5-(1H-imidazol-2-yl)-2H-triazol-4-amine

C5H6N6 — CID 136594583

IUPAC5-(1H-imidazol-2-yl)-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ncc[nH]1
InChIInChI=1S/C5H6N6/c6-4-3(9-11-10-4)5-7-1-2-8-5/h1-2H,(H,7,8)(H3,6,9,10,11)
InChIKeyQUAHRYZKWCMEGV-UHFFFAOYSA-N
MW150.15 g/mol
LogP-0.22
Rot. Bonds1

About 5-(1H-imidazol-2-yl)-2H-triazol-4-amine

5-(1H-imidazol-2-yl)-2H-triazol-4-amine (PubChem CID 136594583) has the molecular formula C5H6N6 and a molecular weight of 150.15 g/mol. Its IUPAC name is 5-(1H-imidazol-2-yl)-2H-triazol-4-amine.

Molecular Properties

Compound Name5-(1H-imidazol-2-yl)-2H-triazol-4-amine
PubChem CID136594583
Molecular FormulaC5H6N6
Molecular Weight150.15 g/mol
Exact Mass150.07
IUPAC Name5-(1H-imidazol-2-yl)-2H-triazol-4-amine
SMILESNc1n[nH]nc1-c1ncc[nH]1
InChIInChI=1S/C5H6N6/c6-4-3(9-11-10-4)5-7-1-2-8-5/h1-2H,(H,7,8)(H3,6,9,10,11)
InChIKeyQUAHRYZKWCMEGV-UHFFFAOYSA-N
XLogP-0.22
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.15
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-2-yl)-2H-triazol-4-amine?
The IUPAC name of 5-(1H-imidazol-2-yl)-2H-triazol-4-amine (CID 136594583) is 5-(1H-imidazol-2-yl)-2H-triazol-4-amine.
What is the SMILES notation for 5-(1H-imidazol-2-yl)-2H-triazol-4-amine?
The canonical SMILES for 5-(1H-imidazol-2-yl)-2H-triazol-4-amine is Nc1n[nH]nc1-c1ncc[nH]1.
What is the InChIKey of 5-(1H-imidazol-2-yl)-2H-triazol-4-amine?
The InChIKey is QUAHRYZKWCMEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N6/c6-4-3(9-11-10-4)5-7-1-2-8-5/h1-2H,(H,7,8)(H3,6,9,10,11).
What are the key properties of 5-(1H-imidazol-2-yl)-2H-triazol-4-amine?
5-(1H-imidazol-2-yl)-2H-triazol-4-amine has a molecular weight of 150.15 g/mol, XLogP of -0.22, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-2-yl)-2H-triazol-4-amine is sourced from PubChem (CID 136594583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).