4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C9H7IN8 — CID 80868896

IUPAC4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-n2cccn2)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C9H7IN8/c10-6-4-13-18(5-6)9-15-7(11)14-8(16-9)17-3-1-2-12-17/h1-5H,(H2,11,14,15,16)
InChIKeyYEIGLDPYVBSDJQ-UHFFFAOYSA-N
MW354.12 g/mol
LogP0.43
Rot. Bonds2

About 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80868896) has the molecular formula C9H7IN8 and a molecular weight of 354.12 g/mol. Its IUPAC name is 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80868896
Molecular FormulaC9H7IN8
Molecular Weight354.12 g/mol
Exact Mass353.98
IUPAC Name4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESNc1nc(-n2cccn2)nc(-n2cc(I)cn2)n1
InChIInChI=1S/C9H7IN8/c10-6-4-13-18(5-6)9-15-7(11)14-8(16-9)17-3-1-2-12-17/h1-5H,(H2,11,14,15,16)
InChIKeyYEIGLDPYVBSDJQ-UHFFFAOYSA-N
XLogP0.43
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.12
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine 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

4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
2-(4-iodopyrazol-1-yl)pyrimidin-4-amine
CID 116798086
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
4-(benzimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80841169
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
5-bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468045
4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80829031
4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80883733
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 80729329
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
4-N-butan-2-yl-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775574

Frequently Asked Questions

What is the IUPAC name of 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80868896) is 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is Nc1nc(-n2cccn2)nc(-n2cc(I)cn2)n1.
What is the InChIKey of 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is YEIGLDPYVBSDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7IN8/c10-6-4-13-18(5-6)9-15-7(11)14-8(16-9)17-3-1-2-12-17/h1-5H,(H2,11,14,15,16).
What are the key properties of 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 354.12 g/mol, XLogP of 0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80868896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).