8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline

C19H18N6 — CID 50955837

IUPAC8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
SMILESCc1cnc(-c2nc(C(C)C)nn2-c2cccc3cccnc23)cn1
InChIInChI=1S/C19H18N6/c1-12(2)18-23-19(15-11-21-13(3)10-22-15)25(24-18)16-8-4-6-14-7-5-9-20-17(14)16/h4-12H,1-3H3
InChIKeyKQXAVJJYGUDEDL-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.70
Rot. Bonds3

About 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline

8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline (PubChem CID 50955837) has the molecular formula C19H18N6 and a molecular weight of 330.40 g/mol. Its IUPAC name is 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline.

Molecular Properties

Compound Name8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
PubChem CID50955837
Molecular FormulaC19H18N6
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Name8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline
SMILESCc1cnc(-c2nc(C(C)C)nn2-c2cccc3cccnc23)cn1
InChIInChI=1S/C19H18N6/c1-12(2)18-23-19(15-11-21-13(3)10-22-15)25(24-18)16-8-4-6-14-7-5-9-20-17(14)16/h4-12H,1-3H3
InChIKeyKQXAVJJYGUDEDL-UHFFFAOYSA-N
XLogP3.70
TPSA69.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(5-propan-2-yl-2-quinolin-8-yl-1,2,4-triazol-3-yl)ethyl]methanesulfonamide
CID 95131488
8-(3-methyl-1,2,4-triazol-1-yl)quinoline
CID 166607439
5-propan-2-yl-1-quinolin-8-yltriazol-4-amine
CID 79502966
4-(5-cyclopropyl-2-quinolin-8-yl-1,2,4-triazol-3-yl)thiadiazole
CID 50956899
5-methyl-1-quinolin-8-yltriazol-4-amine
CID 79502676
3,5-dimethyl-4-[5-(2-methylpropyl)-2-quinolin-8-yl-1,2,4-triazol-3-yl]-1,2-oxazole
CID 50962318
8-(4-methylpiperazin-1-yl)quinoline
CID 20701166
N-methyl-1-(5-methylpyrazin-2-yl)-1-quinolin-8-ylmethanamine
CID 105172471
5-methyl-3-quinolin-8-yl-1H-imidazole-2-thione
CID 81335602
8-[4-(bromomethyl)triazol-1-yl]quinoline
CID 62401361
3,4-dimethyl-5-methylidene-1-quinolin-8-ylpyrrol-2-one
CID 141397224
8-[5-[2-(2-methylimidazol-1-yl)ethyl]-3-(2-methylpropyl)-1,2,4-triazol-1-yl]quinoline
CID 50953775

Frequently Asked Questions

What is the IUPAC name of 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline?
The IUPAC name of 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline (CID 50955837) is 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline.
What is the SMILES notation for 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline?
The canonical SMILES for 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline is Cc1cnc(-c2nc(C(C)C)nn2-c2cccc3cccnc23)cn1.
What is the InChIKey of 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline?
The InChIKey is KQXAVJJYGUDEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6/c1-12(2)18-23-19(15-11-21-13(3)10-22-15)25(24-18)16-8-4-6-14-7-5-9-20-17(14)16/h4-12H,1-3H3.
What are the key properties of 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline?
8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline has a molecular weight of 330.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[5-(5-methylpyrazin-2-yl)-3-propan-2-yl-1,2,4-triazol-1-yl]quinoline is sourced from PubChem (CID 50955837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).