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

C4H5N7 — CID 62793217

IUPAC5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ncn[nH]2)n1
InChIInChI=1S/C4H5N7/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H,6,7,9)(H3,5,8,10,11)
InChIKeyIOCYVVJHKGDDCL-UHFFFAOYSA-N
MW151.13 g/mol
LogP-0.83
Rot. Bonds1

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

5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 62793217) has the molecular formula C4H5N7 and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine
PubChem CID62793217
Molecular FormulaC4H5N7
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine
SMILESNc1n[nH]c(-c2ncn[nH]2)n1
InChIInChI=1S/C4H5N7/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H,6,7,9)(H3,5,8,10,11)
InChIKeyIOCYVVJHKGDDCL-UHFFFAOYSA-N
XLogP-0.83
TPSA109.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine (CID 62793217) is 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine is Nc1n[nH]c(-c2ncn[nH]2)n1.
What is the InChIKey of 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is IOCYVVJHKGDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7/c5-4-8-3(10-11-4)2-6-1-7-9-2/h1H,(H,6,7,9)(H3,5,8,10,11).
What are the key properties of 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine?
5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 151.13 g/mol, XLogP of -0.83, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-1,2,4-triazol-5-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 62793217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).