4-N,1-dimethylpyrazole-3,4,5-triamine

C5H11N5 — CID 10154099

IUPAC4-N,1-dimethylpyrazole-3,4,5-triamine
SMILESCNc1c(N)nn(C)c1N
InChIInChI=1S/C5H11N5/c1-8-3-4(6)9-10(2)5(3)7/h8H,7H2,1-2H3,(H2,6,9)
InChIKeyVGNTUDBFWCGMGV-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.37
Rot. Bonds1

About 4-N,1-dimethylpyrazole-3,4,5-triamine

4-N,1-dimethylpyrazole-3,4,5-triamine (PubChem CID 10154099) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 4-N,1-dimethylpyrazole-3,4,5-triamine.

Molecular Properties

Compound Name4-N,1-dimethylpyrazole-3,4,5-triamine
PubChem CID10154099
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name4-N,1-dimethylpyrazole-3,4,5-triamine
SMILESCNc1c(N)nn(C)c1N
InChIInChI=1S/C5H11N5/c1-8-3-4(6)9-10(2)5(3)7/h8H,7H2,1-2H3,(H2,6,9)
InChIKeyVGNTUDBFWCGMGV-UHFFFAOYSA-N
XLogP-0.37
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N,1-dimethylpyrazole-3,4,5-triamine?
The IUPAC name of 4-N,1-dimethylpyrazole-3,4,5-triamine (CID 10154099) is 4-N,1-dimethylpyrazole-3,4,5-triamine.
What is the SMILES notation for 4-N,1-dimethylpyrazole-3,4,5-triamine?
The canonical SMILES for 4-N,1-dimethylpyrazole-3,4,5-triamine is CNc1c(N)nn(C)c1N.
What is the InChIKey of 4-N,1-dimethylpyrazole-3,4,5-triamine?
The InChIKey is VGNTUDBFWCGMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-8-3-4(6)9-10(2)5(3)7/h8H,7H2,1-2H3,(H2,6,9).
What are the key properties of 4-N,1-dimethylpyrazole-3,4,5-triamine?
4-N,1-dimethylpyrazole-3,4,5-triamine has a molecular weight of 141.18 g/mol, XLogP of -0.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,1-dimethylpyrazole-3,4,5-triamine is sourced from PubChem (CID 10154099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).