2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine

C12H20N6 — CID 154494064

IUPAC2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
SMILESCC(C)n1ncc(C2(N)C=C(N)C=CC2N)c1N
InChIInChI=1S/C12H20N6/c1-7(2)18-11(15)9(6-17-18)12(16)5-8(13)3-4-10(12)14/h3-7,10H,13-16H2,1-2H3
InChIKeyZHOKFWFBJYVORN-UHFFFAOYSA-N
MW248.33 g/mol
LogP-0.06
Rot. Bonds2

About 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine

2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine (PubChem CID 154494064) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine.

Molecular Properties

Compound Name2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
PubChem CID154494064
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
SMILESCC(C)n1ncc(C2(N)C=C(N)C=CC2N)c1N
InChIInChI=1S/C12H20N6/c1-7(2)18-11(15)9(6-17-18)12(16)5-8(13)3-4-10(12)14/h3-7,10H,13-16H2,1-2H3
InChIKeyZHOKFWFBJYVORN-UHFFFAOYSA-N
XLogP-0.06
TPSA121.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 5-0.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(5-Amino-1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 69726171
1-(5-Amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 69727496
1-(5-Amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 69727889
(3E,7E)-3,15-dimethyl-2,9,14,15-tetrazabicyclo[10.3.0]pentadeca-1(12),3,7,13-tetraene
CID 137200370
1-(1-Methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2-diamine
CID 150232055
2-(5-Amino-1-methylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 154494063
2-(5-Amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
CID 154494065
N-[1-[(Z)-3-methylbut-1-enyl]-4-(3-methylcyclohexa-2,4-dien-1-yl)pyrazol-5-yl]methanimine
CID 156315159
5-cyclohexa-1,3-dien-1-yl-N-[(Z)-2-(methyliminomethyl)pent-2-enyl]-3-propan-2-yl-4,5-dihydropyrazolo[1,5-a]pyrimidin-7-amine
CID 163769091
4-(3-Aminopropyl)-1-cyclopropylpyrazol-5-amine
CID 115069356
4-(3-Aminopropyl)-1-cyclobutylpyrazol-5-amine
CID 115069364
4-(3-Aminopropyl)-1-cyclopentylpyrazol-5-amine
CID 115069372

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The IUPAC name of 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine (CID 154494064) is 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine.
What is the SMILES notation for 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The canonical SMILES for 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine is CC(C)n1ncc(C2(N)C=C(N)C=CC2N)c1N.
What is the InChIKey of 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The InChIKey is ZHOKFWFBJYVORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6/c1-7(2)18-11(15)9(6-17-18)12(16)5-8(13)3-4-10(12)14/h3-7,10H,13-16H2,1-2H3.
What are the key properties of 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine has a molecular weight of 248.33 g/mol, XLogP of -0.06, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1-propan-2-ylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine is sourced from PubChem (CID 154494064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).