4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole

C8H10IN5 — CID 107058851

IUPAC4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
SMILESCc1cn(Cc2cn(C)nn2)nc1I
InChIInChI=1S/C8H10IN5/c1-6-3-14(11-8(6)9)5-7-4-13(2)12-10-7/h3-4H,5H2,1-2H3
InChIKeyLDQFTNLYMQJANC-UHFFFAOYSA-N
MW303.11 g/mol
LogP0.97
Rot. Bonds2

About 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole

4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole (PubChem CID 107058851) has the molecular formula C8H10IN5 and a molecular weight of 303.11 g/mol. Its IUPAC name is 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole.

Molecular Properties

Compound Name4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
PubChem CID107058851
Molecular FormulaC8H10IN5
Molecular Weight303.11 g/mol
Exact Mass303.00
IUPAC Name4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole
SMILESCc1cn(Cc2cn(C)nn2)nc1I
InChIInChI=1S/C8H10IN5/c1-6-3-14(11-8(6)9)5-7-4-13(2)12-10-7/h3-4H,5H2,1-2H3
InChIKeyLDQFTNLYMQJANC-UHFFFAOYSA-N
XLogP0.97
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.11
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole 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-[(4,5-diiodoimidazol-1-yl)methyl]-1-methyltriazole
CID 130508270
4-(bromomethyl)-1-[(1-methyltriazol-4-yl)methyl]triazole
CID 107052782
1-methyl-4-[(2,3,4-trimethylpyrrol-1-yl)methyl]triazole
CID 107054359
5-methyl-1-[(1-methyltriazol-4-yl)methyl]tetrazole
CID 130616524
N-[[1-[(1-methyltriazol-4-yl)methyl]-1,2,4-triazol-3-yl]methyl]ethanamine
CID 107054715
4-(2,2-dimethylpropyl)-1-methyltriazole
CID 58079661
4-[[4-(chloromethyl)pyrazol-1-yl]methyl]-1-methyltriazole
CID 107053764
3,5-dimethyl-1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-amine
CID 107042795
6-chloro-5-iodo-3-[(1-methyltriazol-4-yl)methyl]pyrimidin-4-one
CID 107052072
ethane;4-ethyl-1-methyltriazole
CID 143593274
1-[1-[(1-methyltriazol-4-yl)methyl]pyrazol-4-yl]ethanol
CID 107053748
1,4-dimethyltriazole;1-methyl-4-[(1-methyltriazol-4-yl)methyl]triazole
CID 167563396

Frequently Asked Questions

What is the IUPAC name of 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole?
The IUPAC name of 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole (CID 107058851) is 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole.
What is the SMILES notation for 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole?
The canonical SMILES for 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole is Cc1cn(Cc2cn(C)nn2)nc1I.
What is the InChIKey of 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole?
The InChIKey is LDQFTNLYMQJANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN5/c1-6-3-14(11-8(6)9)5-7-4-13(2)12-10-7/h3-4H,5H2,1-2H3.
What are the key properties of 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole?
4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole has a molecular weight of 303.11 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-iodo-4-methylpyrazol-1-yl)methyl]-1-methyltriazole is sourced from PubChem (CID 107058851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).