N,1,5-trimethylpyrazol-4-amine

C6H11N3 — CID 20607221

IUPACN,1,5-trimethylpyrazol-4-amine
SMILESCNc1cnn(C)c1C
InChIInChI=1S/C6H11N3/c1-5-6(7-2)4-8-9(5)3/h4,7H,1-3H3
InChIKeyOQYFORHQVNJINU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.77
Rot. Bonds1

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

N,1,5-trimethylpyrazol-4-amine (PubChem CID 20607221) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N,1,5-trimethylpyrazol-4-amine.

Molecular Properties

Compound NameN,1,5-trimethylpyrazol-4-amine
PubChem CID20607221
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN,1,5-trimethylpyrazol-4-amine
SMILESCNc1cnn(C)c1C
InChIInChI=1S/C6H11N3/c1-5-6(7-2)4-8-9(5)3/h4,7H,1-3H3
InChIKeyOQYFORHQVNJINU-UHFFFAOYSA-N
XLogP0.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,1,5-trimethylpyrazol-4-amine?
The IUPAC name of N,1,5-trimethylpyrazol-4-amine (CID 20607221) is N,1,5-trimethylpyrazol-4-amine.
What is the SMILES notation for N,1,5-trimethylpyrazol-4-amine?
The canonical SMILES for N,1,5-trimethylpyrazol-4-amine is CNc1cnn(C)c1C.
What is the InChIKey of N,1,5-trimethylpyrazol-4-amine?
The InChIKey is OQYFORHQVNJINU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-5-6(7-2)4-8-9(5)3/h4,7H,1-3H3.
What are the key properties of N,1,5-trimethylpyrazol-4-amine?
N,1,5-trimethylpyrazol-4-amine has a molecular weight of 125.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1,5-trimethylpyrazol-4-amine is sourced from PubChem (CID 20607221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).