1-methylpyrazole-3,4,5-triamine

C4H9N5 — CID 10197692

IUPAC1-methylpyrazole-3,4,5-triamine
SMILESCn1nc(N)c(N)c1N
InChIInChI=1S/C4H9N5/c1-9-4(7)2(5)3(6)8-9/h5,7H2,1H3,(H2,6,8)
InChIKeyYMRBWWVXSSYSGH-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.83
Rot. Bonds

About 1-methylpyrazole-3,4,5-triamine

1-methylpyrazole-3,4,5-triamine (PubChem CID 10197692) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-methylpyrazole-3,4,5-triamine.

Molecular Properties

Compound Name1-methylpyrazole-3,4,5-triamine
PubChem CID10197692
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-methylpyrazole-3,4,5-triamine
SMILESCn1nc(N)c(N)c1N
InChIInChI=1S/C4H9N5/c1-9-4(7)2(5)3(6)8-9/h5,7H2,1H3,(H2,6,8)
InChIKeyYMRBWWVXSSYSGH-UHFFFAOYSA-N
XLogP-0.83
TPSA95.88 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylpyrazole-3,4,5-triamine?
The IUPAC name of 1-methylpyrazole-3,4,5-triamine (CID 10197692) is 1-methylpyrazole-3,4,5-triamine.
What is the SMILES notation for 1-methylpyrazole-3,4,5-triamine?
The canonical SMILES for 1-methylpyrazole-3,4,5-triamine is Cn1nc(N)c(N)c1N.
What is the InChIKey of 1-methylpyrazole-3,4,5-triamine?
The InChIKey is YMRBWWVXSSYSGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-9-4(7)2(5)3(6)8-9/h5,7H2,1H3,(H2,6,8).
What are the key properties of 1-methylpyrazole-3,4,5-triamine?
1-methylpyrazole-3,4,5-triamine has a molecular weight of 127.15 g/mol, XLogP of -0.83, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyrazole-3,4,5-triamine is sourced from PubChem (CID 10197692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).