3,4,5-trimethylpyrazol-1-amine

C6H11N3 — CID 12674537

IUPAC3,4,5-trimethylpyrazol-1-amine
SMILESCc1nn(N)c(C)c1C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9(7)6(4)3/h7H2,1-3H3
InChIKeyCIMIWVAGPUPKBZ-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.52
Rot. Bonds

About 3,4,5-trimethylpyrazol-1-amine

3,4,5-trimethylpyrazol-1-amine (PubChem CID 12674537) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 3,4,5-trimethylpyrazol-1-amine.

Molecular Properties

Compound Name3,4,5-trimethylpyrazol-1-amine
PubChem CID12674537
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name3,4,5-trimethylpyrazol-1-amine
SMILESCc1nn(N)c(C)c1C
InChIInChI=1S/C6H11N3/c1-4-5(2)8-9(7)6(4)3/h7H2,1-3H3
InChIKeyCIMIWVAGPUPKBZ-UHFFFAOYSA-N
XLogP0.52
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 572879
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CID 650797
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CID 572877
CID 572877
CID 572718
CID 572718
CID 17368230
CID 17368230
CID 6603655
CID 6603655
CID 911572
CID 911572
CID 71561433
CID 71561433
CID 3136377
CID 3136377
CID 2753139
CID 2753139
CID 2753087
CID 2753087

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethylpyrazol-1-amine?
The IUPAC name of 3,4,5-trimethylpyrazol-1-amine (CID 12674537) is 3,4,5-trimethylpyrazol-1-amine.
What is the SMILES notation for 3,4,5-trimethylpyrazol-1-amine?
The canonical SMILES for 3,4,5-trimethylpyrazol-1-amine is Cc1nn(N)c(C)c1C.
What is the InChIKey of 3,4,5-trimethylpyrazol-1-amine?
The InChIKey is CIMIWVAGPUPKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-4-5(2)8-9(7)6(4)3/h7H2,1-3H3.
What are the key properties of 3,4,5-trimethylpyrazol-1-amine?
3,4,5-trimethylpyrazol-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethylpyrazol-1-amine is sourced from PubChem (CID 12674537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).