4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine

C19H19ClN4O — CID 72875840

IUPAC4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine
SMILESCOCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClN4O/c1-25-13-19(7-8-19)18-22-17(15-5-9-21-10-6-15)23-24(18)12-14-3-2-4-16(20)11-14/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyDQVZLZUKUKHESJ-UHFFFAOYSA-N
MW354.84 g/mol
LogP3.72
Rot. Bonds6

About 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine

4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine (PubChem CID 72875840) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine
PubChem CID72875840
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine
SMILESCOCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H19ClN4O/c1-25-13-19(7-8-19)18-22-17(15-5-9-21-10-6-15)23-24(18)12-14-3-2-4-16(20)11-14/h2-6,9-11H,7-8,12-13H2,1H3
InChIKeyDQVZLZUKUKHESJ-UHFFFAOYSA-N
XLogP3.72
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-[5-(4-methoxyphenyl)-2-(pyridin-4-ylmethyl)-1,2,4-triazol-3-yl]phenyl]-N,N-dimethylmethanamine
CID 21180265
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]pyridine-4-carboxamide
CID 35521557
1-[(3-chlorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 56769041
2-[(3-chlorophenyl)methyl]-4,4-dimethyl-6,7-dihydro-5H-indazol-3-amine
CID 79855987
5-chloro-4-(chloromethyl)-1-[(3-chlorophenyl)methyl]-3-(methoxymethyl)pyrazole
CID 55172992
4-[1-[(3-chlorophenyl)methyl]azetidin-3-yl]oxypyridine
CID 163353082
4-[3-(3-chlorophenyl)propyl]pyridine
CID 19783328
4-[1-[(3-methylphenyl)methyl]-5-[[(2R)-oxolan-2-yl]methoxymethyl]-1,2,4-triazol-3-yl]pyridine
CID 97437748
4-bromo-1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazole
CID 62128432
2-[(3-chlorophenyl)methyl]-5-ethoxy-1,2,4-triazol-3-amine
CID 79872536
2-[(3-chlorophenyl)methyl]-5-(4-methylphenyl)tetrazole
CID 7465674
2-[(3-chlorophenyl)methyl]-5-methylpyrazole-3-carboxylic acid
CID 82297625

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine (CID 72875840) is 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine is COCC1(c2nc(-c3ccncc3)nn2Cc2cccc(Cl)c2)CC1.
What is the InChIKey of 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine?
The InChIKey is DQVZLZUKUKHESJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN4O/c1-25-13-19(7-8-19)18-22-17(15-5-9-21-10-6-15)23-24(18)12-14-3-2-4-16(20)11-14/h2-6,9-11H,7-8,12-13H2,1H3.
What are the key properties of 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine?
4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine has a molecular weight of 354.84 g/mol, XLogP of 3.72, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-chlorophenyl)methyl]-5-[1-(methoxymethyl)cyclopropyl]-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72875840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).