6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine

C6H10N4 — CID 82593959

IUPAC6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine
SMILESNCc1nc2n(n1)CCC2
InChIInChI=1S/C6H10N4/c7-4-5-8-6-2-1-3-10(6)9-5/h1-4,7H2
InChIKeyUUKKROGLZOBLMW-UHFFFAOYSA-N
MW138.17 g/mol
LogP-0.32
Rot. Bonds1

About 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine

6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine (PubChem CID 82593959) has the molecular formula C6H10N4 and a molecular weight of 138.17 g/mol. Its IUPAC name is 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine.

Molecular Properties

Compound Name6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine
PubChem CID82593959
Molecular FormulaC6H10N4
Molecular Weight138.17 g/mol
Exact Mass138.09
IUPAC Name6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine
SMILESNCc1nc2n(n1)CCC2
InChIInChI=1S/C6H10N4/c7-4-5-8-6-2-1-3-10(6)9-5/h1-4,7H2
InChIKeyUUKKROGLZOBLMW-UHFFFAOYSA-N
XLogP-0.32
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine?
The IUPAC name of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine (CID 82593959) is 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine.
What is the SMILES notation for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine?
The canonical SMILES for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine is NCc1nc2n(n1)CCC2.
What is the InChIKey of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine?
The InChIKey is UUKKROGLZOBLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4/c7-4-5-8-6-2-1-3-10(6)9-5/h1-4,7H2.
What are the key properties of 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine?
6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine has a molecular weight of 138.17 g/mol, XLogP of -0.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-pyrrolo[1,2-b][1,2,4]triazol-2-ylmethanamine is sourced from PubChem (CID 82593959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).