1H-pyrazole-3,4,5-triamine

C3H7N5 — CID 10176120

IUPAC1H-pyrazole-3,4,5-triamine
SMILESNc1n[nH]c(N)c1N
InChIInChI=1S/C3H7N5/c4-1-2(5)7-8-3(1)6/h4H2,(H5,5,6,7,8)
InChIKeyWXFKWEVAPSWLOI-UHFFFAOYSA-N
MW113.12 g/mol
LogP-0.84
Rot. Bonds

About 1H-pyrazole-3,4,5-triamine

1H-pyrazole-3,4,5-triamine (PubChem CID 10176120) has the molecular formula C3H7N5 and a molecular weight of 113.12 g/mol. Its IUPAC name is 1H-pyrazole-3,4,5-triamine.

Molecular Properties

Compound Name1H-pyrazole-3,4,5-triamine
PubChem CID10176120
Molecular FormulaC3H7N5
Molecular Weight113.12 g/mol
Exact Mass113.07
IUPAC Name1H-pyrazole-3,4,5-triamine
SMILESNc1n[nH]c(N)c1N
InChIInChI=1S/C3H7N5/c4-1-2(5)7-8-3(1)6/h4H2,(H5,5,6,7,8)
InChIKeyWXFKWEVAPSWLOI-UHFFFAOYSA-N
XLogP-0.84
TPSA106.74 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 5-0.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrazole-3,4,5-triamine?
The IUPAC name of 1H-pyrazole-3,4,5-triamine (CID 10176120) is 1H-pyrazole-3,4,5-triamine.
What is the SMILES notation for 1H-pyrazole-3,4,5-triamine?
The canonical SMILES for 1H-pyrazole-3,4,5-triamine is Nc1n[nH]c(N)c1N.
What is the InChIKey of 1H-pyrazole-3,4,5-triamine?
The InChIKey is WXFKWEVAPSWLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5/c4-1-2(5)7-8-3(1)6/h4H2,(H5,5,6,7,8).
What are the key properties of 1H-pyrazole-3,4,5-triamine?
1H-pyrazole-3,4,5-triamine has a molecular weight of 113.12 g/mol, XLogP of -0.84, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrazole-3,4,5-triamine is sourced from PubChem (CID 10176120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).