4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine

C7H9N7 — CID 130979889

IUPAC4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCn2cncn2)n1
InChIInChI=1S/C7H9N7/c8-7-11-4-10-6(13-7)1-2-14-5-9-3-12-14/h3-5H,1-2H2,(H2,8,10,11,13)
InChIKeyQPRURXAUHUUSOY-UHFFFAOYSA-N
MW191.20 g/mol
LogP-0.71
Rot. Bonds3

About 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine

4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine (PubChem CID 130979889) has the molecular formula C7H9N7 and a molecular weight of 191.20 g/mol. Its IUPAC name is 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine
PubChem CID130979889
Molecular FormulaC7H9N7
Molecular Weight191.20 g/mol
Exact Mass191.09
IUPAC Name4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(CCn2cncn2)n1
InChIInChI=1S/C7H9N7/c8-7-11-4-10-6(13-7)1-2-14-5-9-3-12-14/h3-5H,1-2H2,(H2,8,10,11,13)
InChIKeyQPRURXAUHUUSOY-UHFFFAOYSA-N
XLogP-0.71
TPSA95.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine (CID 130979889) is 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine is Nc1ncnc(CCn2cncn2)n1.
What is the InChIKey of 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine?
The InChIKey is QPRURXAUHUUSOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N7/c8-7-11-4-10-6(13-7)1-2-14-5-9-3-12-14/h3-5H,1-2H2,(H2,8,10,11,13).
What are the key properties of 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine?
4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine has a molecular weight of 191.20 g/mol, XLogP of -0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,2,4-triazol-1-yl)ethyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 130979889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).