5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine

C8H12N6 — CID 143882890

IUPAC5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine
SMILESNc1ncc(CCCc2cn[nH]n2)[nH]1
InChIInChI=1S/C8H12N6/c9-8-10-4-6(12-8)2-1-3-7-5-11-14-13-7/h4-5H,1-3H2,(H3,9,10,12)(H,11,13,14)
InChIKeyBTSSPJRQTGVYPA-UHFFFAOYSA-N
MW192.23 g/mol
LogP0.29
Rot. Bonds4

About 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine

5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine (PubChem CID 143882890) has the molecular formula C8H12N6 and a molecular weight of 192.23 g/mol. Its IUPAC name is 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine
PubChem CID143882890
Molecular FormulaC8H12N6
Molecular Weight192.23 g/mol
Exact Mass192.11
IUPAC Name5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine
SMILESNc1ncc(CCCc2cn[nH]n2)[nH]1
InChIInChI=1S/C8H12N6/c9-8-10-4-6(12-8)2-1-3-7-5-11-14-13-7/h4-5H,1-3H2,(H3,9,10,12)(H,11,13,14)
InChIKeyBTSSPJRQTGVYPA-UHFFFAOYSA-N
XLogP0.29
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine?
The IUPAC name of 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine (CID 143882890) is 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine.
What is the SMILES notation for 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine?
The canonical SMILES for 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine is Nc1ncc(CCCc2cn[nH]n2)[nH]1.
What is the InChIKey of 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine?
The InChIKey is BTSSPJRQTGVYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N6/c9-8-10-4-6(12-8)2-1-3-7-5-11-14-13-7/h4-5H,1-3H2,(H3,9,10,12)(H,11,13,14).
What are the key properties of 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine?
5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine has a molecular weight of 192.23 g/mol, XLogP of 0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2H-triazol-4-yl)propyl]-1H-imidazol-2-amine is sourced from PubChem (CID 143882890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).