4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine

C11H15N5 — CID 106751256

IUPAC4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
SMILESCc1nn(C)cc1Nc1ccc(N)c(N)c1
InChIInChI=1S/C11H15N5/c1-7-11(6-16(2)15-7)14-8-3-4-9(12)10(13)5-8/h3-6,14H,12-13H2,1-2H3
InChIKeyRRRYNTURASUQNI-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.64
Rot. Bonds2

About 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine

4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine (PubChem CID 106751256) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
PubChem CID106751256
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine
SMILESCc1nn(C)cc1Nc1ccc(N)c(N)c1
InChIInChI=1S/C11H15N5/c1-7-11(6-16(2)15-7)14-8-3-4-9(12)10(13)5-8/h3-6,14H,12-13H2,1-2H3
InChIKeyRRRYNTURASUQNI-UHFFFAOYSA-N
XLogP1.64
TPSA81.89 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-(1,3-dimethylpyrazol-4-yl)-2-ethoxybenzene-1,4-diamine
CID 102803626
4-[(1,3-dimethylpyrazol-4-yl)amino]benzoic acid
CID 102805860
2-N-(1,3-dimethylpyrazol-4-yl)-3,4-difluorobenzene-1,2-diamine
CID 102803610
2-chloro-4-N-(1,3-dimethylpyrazol-4-yl)-5-methylbenzene-1,4-diamine
CID 102803593
2-chloro-4-[(1,3-dimethylpyrazol-4-yl)amino]benzoic acid
CID 102807400
5-amino-2-[(1,3-dimethylpyrazol-4-yl)amino]benzonitrile
CID 102803725
2-N-(1,3-dimethylpyrazol-4-yl)-5-methylpyridine-2,3-diamine
CID 102803615
3-amino-4-[(1,3-dimethylpyrazol-4-yl)amino]benzenesulfonamide
CID 102803689
8-N-(1,3-dimethylpyrazol-4-yl)quinoline-5,8-diamine
CID 102803578
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
N-[4-(difluoromethylsulfonyl)phenyl]-1,3-dimethylpyrazol-4-amine
CID 103894572
2-N-(1,3-dimethylpyrazol-4-yl)-1,3,4-oxadiazole-2,5-diamine
CID 103437400

Frequently Asked Questions

What is the IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine (CID 106751256) is 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine is Cc1nn(C)cc1Nc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine?
The InChIKey is RRRYNTURASUQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7-11(6-16(2)15-7)14-8-3-4-9(12)10(13)5-8/h3-6,14H,12-13H2,1-2H3.
What are the key properties of 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine?
4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine has a molecular weight of 217.28 g/mol, XLogP of 1.64, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1,3-dimethylpyrazol-4-yl)benzene-1,2,4-triamine is sourced from PubChem (CID 106751256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).