iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine

C17H16IN7 — CID 161196497

IUPACiodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCI.Cc1nc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H13N7.CH3I/c1-10-18-16(23-22-10)21-15-12-4-2-3-5-13(12)19-14(20-15)11-6-8-17-9-7-11;1-2/h2-9H,1H3,(H2,18,19,20,21,22,23);1H3
InChIKeyUUKJHEITUHQGDJ-UHFFFAOYSA-N
MW445.27 g/mol
LogP3.91
Rot. Bonds3

About iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine

iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine (PubChem CID 161196497) has the molecular formula C17H16IN7 and a molecular weight of 445.27 g/mol. Its IUPAC name is iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine.

Molecular Properties

Compound Nameiodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
PubChem CID161196497
Molecular FormulaC17H16IN7
Molecular Weight445.27 g/mol
Exact Mass445.05
IUPAC Nameiodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine
SMILESCI.Cc1nc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1
InChIInChI=1S/C16H13N7.CH3I/c1-10-18-16(23-22-10)21-15-12-4-2-3-5-13(12)19-14(20-15)11-6-8-17-9-7-11;1-2/h2-9H,1H3,(H2,18,19,20,21,22,23);1H3
InChIKeyUUKJHEITUHQGDJ-UHFFFAOYSA-N
XLogP3.91
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.27
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-thiophen-3-ylquinazolin-4-amine
CID 20626480
2-(4-ethynylphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 20626280
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-(2-phenylphenyl)quinazolin-4-amine
CID 10199665
2-(2-methoxyphenyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)quinazolin-4-amine
CID 10268483
N,N-dimethyl-2-[4-[(5-methyl-1H-1,2,4-triazol-3-yl)amino]quinazolin-2-yl]benzenesulfonamide
CID 21015026
N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-[2-(trifluoromethyl)phenyl]pyrido[3,4-d]pyrimidin-4-amine
CID 11955437
N-(4-fluoro-2-methyl-1H-inden-5-yl)-2-pyridin-4-ylquinazolin-4-amine
CID 164985419
N-(2,4-dimethoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 1126120
N-(3-fluoro-4-pyridin-4-ylphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 70789702
N-(2,2-difluoroethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 166217645
N-(2,2-diphenylethyl)-2-pyridin-4-ylquinazolin-4-amine
CID 121377208
N-[(3R)-2-methylpentan-3-yl]-2-pyridin-4-ylquinazolin-4-amine
CID 59389582

Frequently Asked Questions

What is the IUPAC name of iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The IUPAC name of iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine (CID 161196497) is iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine.
What is the SMILES notation for iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The canonical SMILES for iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine is CI.Cc1nc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1.
What is the InChIKey of iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
The InChIKey is UUKJHEITUHQGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N7.CH3I/c1-10-18-16(23-22-10)21-15-12-4-2-3-5-13(12)19-14(20-15)11-6-8-17-9-7-11;1-2/h2-9H,1H3,(H2,18,19,20,21,22,23);1H3.
What are the key properties of iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine?
iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine has a molecular weight of 445.27 g/mol, XLogP of 3.91, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iodomethane;N-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-4-ylquinazolin-4-amine is sourced from PubChem (CID 161196497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).