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

C4H5N7 — CID 57223327

IUPAC3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1-c1ncn[nH]1
InChIInChI=1S/C4H5N7/c5-11-2-8-10-4(11)3-6-1-7-9-3/h1-2H,5H2,(H,6,7,9)
InChIKeyNIMGTECHVZYWPQ-UHFFFAOYSA-N
MW151.13 g/mol
LogP-1.22
Rot. Bonds1

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

3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine (PubChem CID 57223327) has the molecular formula C4H5N7 and a molecular weight of 151.13 g/mol. Its IUPAC name is 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine.

Molecular Properties

Compound Name3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine
PubChem CID57223327
Molecular FormulaC4H5N7
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine
SMILESNn1cnnc1-c1ncn[nH]1
InChIInChI=1S/C4H5N7/c5-11-2-8-10-4(11)3-6-1-7-9-3/h1-2H,5H2,(H,6,7,9)
InChIKeyNIMGTECHVZYWPQ-UHFFFAOYSA-N
XLogP-1.22
TPSA98.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine?
The IUPAC name of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine (CID 57223327) is 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine.
What is the SMILES notation for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine?
The canonical SMILES for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine is Nn1cnnc1-c1ncn[nH]1.
What is the InChIKey of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine?
The InChIKey is NIMGTECHVZYWPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N7/c5-11-2-8-10-4(11)3-6-1-7-9-3/h1-2H,5H2,(H,6,7,9).
What are the key properties of 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine?
3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine has a molecular weight of 151.13 g/mol, XLogP of -1.22, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-1,2,4-triazol-5-yl)-1,2,4-triazol-4-amine is sourced from PubChem (CID 57223327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).