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

C5H8N6 — CID 592312

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C1=NCCN1
InChIInChI=1S/C5H8N6/c6-4-9-3-10-11(4)5-7-1-2-8-5/h3H,1-2H2,(H,7,8)(H2,6,9,10)
InChIKeyRAGPBPCXAJQOHD-UHFFFAOYSA-N
MW152.16 g/mol
LogP-1.33
Rot. Bonds

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

2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine (PubChem CID 592312) has the molecular formula C5H8N6 and a molecular weight of 152.16 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine
PubChem CID592312
Molecular FormulaC5H8N6
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine
SMILESNc1ncnn1C1=NCCN1
InChIInChI=1S/C5H8N6/c6-4-9-3-10-11(4)5-7-1-2-8-5/h3H,1-2H2,(H,7,8)(H2,6,9,10)
InChIKeyRAGPBPCXAJQOHD-UHFFFAOYSA-N
XLogP-1.33
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 5-1.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine (CID 592312) is 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine is Nc1ncnn1C1=NCCN1.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine?
The InChIKey is RAGPBPCXAJQOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N6/c6-4-9-3-10-11(4)5-7-1-2-8-5/h3H,1-2H2,(H,7,8)(H2,6,9,10).
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine?
2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine has a molecular weight of 152.16 g/mol, XLogP of -1.33, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 592312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).