1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine

C10H13N5 — CID 23212800

IUPAC1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
SMILESCn1cc(Nc2ccc(N)cc2N)cn1
InChIInChI=1S/C10H13N5/c1-15-6-8(5-13-15)14-10-3-2-7(11)4-9(10)12/h2-6,14H,11-12H2,1H3
InChIKeyLTUKKPMXTICDLQ-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.33
Rot. Bonds2

About 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine

1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine (PubChem CID 23212800) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
PubChem CID23212800
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine
SMILESCn1cc(Nc2ccc(N)cc2N)cn1
InChIInChI=1S/C10H13N5/c1-15-6-8(5-13-15)14-10-3-2-7(11)4-9(10)12/h2-6,14H,11-12H2,1H3
InChIKeyLTUKKPMXTICDLQ-UHFFFAOYSA-N
XLogP1.33
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine?
The IUPAC name of 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine (CID 23212800) is 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine?
The canonical SMILES for 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine is Cn1cc(Nc2ccc(N)cc2N)cn1.
What is the InChIKey of 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine?
The InChIKey is LTUKKPMXTICDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5/c1-15-6-8(5-13-15)14-10-3-2-7(11)4-9(10)12/h2-6,14H,11-12H2,1H3.
What are the key properties of 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine?
1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine has a molecular weight of 203.25 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(1-methylpyrazol-4-yl)benzene-1,2,4-triamine is sourced from PubChem (CID 23212800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).