cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone

C18H16N4O — CID 45484920

IUPACcyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone
SMILESCc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cccnc1
InChIInChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3
InChIKeyRYARMSANLFBQQB-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.23
Rot. Bonds4

About cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone

cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone (PubChem CID 45484920) has the molecular formula C18H16N4O and a molecular weight of 304.35 g/mol. Its IUPAC name is cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone
PubChem CID45484920
Molecular FormulaC18H16N4O
Molecular Weight304.35 g/mol
Exact Mass304.13
IUPAC Namecyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone
SMILESCc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cccnc1
InChIInChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3
InChIKeyRYARMSANLFBQQB-UHFFFAOYSA-N
XLogP3.23
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone?
The IUPAC name of cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone (CID 45484920) is cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone.
What is the SMILES notation for cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone?
The canonical SMILES for cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone is Cc1c(-c2ccc(C(=O)C3CC3)cc2)nnn1-c1cccnc1.
What is the InChIKey of cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone?
The InChIKey is RYARMSANLFBQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O/c1-12-17(20-21-22(12)16-3-2-10-19-11-16)13-4-6-14(7-5-13)18(23)15-8-9-15/h2-7,10-11,15H,8-9H2,1H3.
What are the key properties of cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone?
cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone has a molecular weight of 304.35 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(5-methyl-1-pyridin-3-yltriazol-4-yl)phenyl]methanone is sourced from PubChem (CID 45484920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).