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

C11H18N6 — CID 154494065

IUPAC2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
SMILESCc1nn(C)c(N)c1C1(N)C=C(N)C=CC1N
InChIInChI=1S/C11H18N6/c1-6-9(10(14)17(2)16-6)11(15)5-7(12)3-4-8(11)13/h3-5,8H,12-15H2,1-2H3
InChIKeyYBTPKKTYORJUSO-UHFFFAOYSA-N
MW234.31 g/mol
LogP-0.80
Rot. Bonds1

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

2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine (PubChem CID 154494065) has the molecular formula C11H18N6 and a molecular weight of 234.31 g/mol. Its IUPAC name is 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine.

Molecular Properties

Compound Name2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
PubChem CID154494065
Molecular FormulaC11H18N6
Molecular Weight234.31 g/mol
Exact Mass234.16
IUPAC Name2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine
SMILESCc1nn(C)c(N)c1C1(N)C=C(N)C=CC1N
InChIInChI=1S/C11H18N6/c1-6-9(10(14)17(2)16-6)11(15)5-7(12)3-4-8(11)13/h3-5,8H,12-15H2,1-2H3
InChIKeyYBTPKKTYORJUSO-UHFFFAOYSA-N
XLogP-0.80
TPSA121.90 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.31
LogP ≤ 5-0.80
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-(5-amino-1,3-dimethylpyrazol-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-methyl-3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 83409076
3-(cyclohex-3-en-1-yl)-1-methyl-1H-pyrazol-5-amine
CID 13488659
(2S)-2-N-[1-[(2-cyclohexa-2,4-dien-1-yl-4-methyl-5-propylpyrazol-3-yl)amino]ethenyl]-1-N-(2-fluoroethyl)-1-N-methylpropane-1,2-diamine
CID 134567764
4-(Cyclohexen-1-yl)-1,3-dimethylpyrazol-5-amine
CID 13352193
4-(1,2,5,6-tetrahydro-1-methyl-4-pyridinyl)-1,3-dimethyl 5-(1H)-pyrazolamine
CID 13352196
1-methyl-3-(3-methylbutan-2-yl)-1H-pyrazol-5-amine
CID 64033899
1,3,4-Tri(propan-2-yl)pyrazol-5-amine
CID 68176956
2-N,5-dimethyl-4H-pyrazolo[1,5-a]pyridine-2,3,5-triamine
CID 69330485
4-cyclohex-1-enyl-2-(2-dimethylaminoethyl)-5-methyl-2H-pyrazol-3-ylamine
CID 69475776
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

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The IUPAC name of 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine (CID 154494065) is 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine.
What is the SMILES notation for 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The canonical SMILES for 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine is Cc1nn(C)c(N)c1C1(N)C=C(N)C=CC1N.
What is the InChIKey of 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
The InChIKey is YBTPKKTYORJUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6/c1-6-9(10(14)17(2)16-6)11(15)5-7(12)3-4-8(11)13/h3-5,8H,12-15H2,1-2H3.
What are the key properties of 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine?
2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine has a molecular weight of 234.31 g/mol, XLogP of -0.80, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-1,3-dimethylpyrazol-4-yl)cyclohexa-3,5-diene-1,2,4-triamine is sourced from PubChem (CID 154494065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).