pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine

C5H7N5 — CID 69458975

IUPACpyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESNc1ccn2ncn(N)c12
InChIInChI=1S/C5H7N5/c6-4-1-2-10-5(4)9(7)3-8-10/h1-3H,6-7H2
InChIKeyDVQLBVAKJKHXOR-UHFFFAOYSA-N
MW137.15 g/mol
LogP-0.57
Rot. Bonds

About pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine

pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (PubChem CID 69458975) has the molecular formula C5H7N5 and a molecular weight of 137.15 g/mol. Its IUPAC name is pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.

Molecular Properties

Compound Namepyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
PubChem CID69458975
Molecular FormulaC5H7N5
Molecular Weight137.15 g/mol
Exact Mass137.07
IUPAC Namepyrrolo[1,2-b][1,2,4]triazole-1,7-diamine
SMILESNc1ccn2ncn(N)c12
InChIInChI=1S/C5H7N5/c6-4-1-2-10-5(4)9(7)3-8-10/h1-3H,6-7H2
InChIKeyDVQLBVAKJKHXOR-UHFFFAOYSA-N
XLogP-0.57
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.15
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The IUPAC name of pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine (CID 69458975) is pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine.
What is the SMILES notation for pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The canonical SMILES for pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is Nc1ccn2ncn(N)c12.
What is the InChIKey of pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
The InChIKey is DVQLBVAKJKHXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N5/c6-4-1-2-10-5(4)9(7)3-8-10/h1-3H,6-7H2.
What are the key properties of pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine?
pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine has a molecular weight of 137.15 g/mol, XLogP of -0.57, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for pyrrolo[1,2-b][1,2,4]triazole-1,7-diamine is sourced from PubChem (CID 69458975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).