1H-pyrrolo[1,2-c]triazol-4-amine

C5H6N4 — CID 141134879

IUPAC1H-pyrrolo[1,2-c]triazol-4-amine
SMILESNc1ccn2[nH]ncc12
InChIInChI=1S/C5H6N4/c6-4-1-2-9-5(4)3-7-8-9/h1-3,8H,6H2
InChIKeyWKSNGYVPQJCXEL-UHFFFAOYSA-N
MW122.13 g/mol
LogP0.24
Rot. Bonds

About 1H-pyrrolo[1,2-c]triazol-4-amine

1H-pyrrolo[1,2-c]triazol-4-amine (PubChem CID 141134879) has the molecular formula C5H6N4 and a molecular weight of 122.13 g/mol. Its IUPAC name is 1H-pyrrolo[1,2-c]triazol-4-amine.

Molecular Properties

Compound Name1H-pyrrolo[1,2-c]triazol-4-amine
PubChem CID141134879
Molecular FormulaC5H6N4
Molecular Weight122.13 g/mol
Exact Mass122.06
IUPAC Name1H-pyrrolo[1,2-c]triazol-4-amine
SMILESNc1ccn2[nH]ncc12
InChIInChI=1S/C5H6N4/c6-4-1-2-9-5(4)3-7-8-9/h1-3,8H,6H2
InChIKeyWKSNGYVPQJCXEL-UHFFFAOYSA-N
XLogP0.24
TPSA59.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[1,2-c]triazol-4-amine?
The IUPAC name of 1H-pyrrolo[1,2-c]triazol-4-amine (CID 141134879) is 1H-pyrrolo[1,2-c]triazol-4-amine.
What is the SMILES notation for 1H-pyrrolo[1,2-c]triazol-4-amine?
The canonical SMILES for 1H-pyrrolo[1,2-c]triazol-4-amine is Nc1ccn2[nH]ncc12.
What is the InChIKey of 1H-pyrrolo[1,2-c]triazol-4-amine?
The InChIKey is WKSNGYVPQJCXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N4/c6-4-1-2-9-5(4)3-7-8-9/h1-3,8H,6H2.
What are the key properties of 1H-pyrrolo[1,2-c]triazol-4-amine?
1H-pyrrolo[1,2-c]triazol-4-amine has a molecular weight of 122.13 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[1,2-c]triazol-4-amine is sourced from PubChem (CID 141134879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).