5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile

C19H17N5 — CID 122478261

IUPAC5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C19H17N5/c20-12-17-19(22-23-21-17)16-7-3-5-14(11-16)13-24-10-4-8-15-6-1-2-9-18(15)24/h1-3,5-7,9,11H,4,8,10,13H2,(H,21,22,23)
InChIKeyNQWLYPAICCLOMY-UHFFFAOYSA-N
MW315.38 g/mol
LogP3.30
Rot. Bonds3

About 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile

5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile (PubChem CID 122478261) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile.

Molecular Properties

Compound Name5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile
PubChem CID122478261
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC Name5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile
SMILESN#Cc1n[nH]nc1-c1cccc(CN2CCCc3ccccc32)c1
InChIInChI=1S/C19H17N5/c20-12-17-19(22-23-21-17)16-7-3-5-14(11-16)13-24-10-4-8-15-6-1-2-9-18(15)24/h1-3,5-7,9,11H,4,8,10,13H2,(H,21,22,23)
InChIKeyNQWLYPAICCLOMY-UHFFFAOYSA-N
XLogP3.30
TPSA68.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
CID 106787989
3-(2,3,4,5-tetrahydro-1,4-benzodiazepin-1-ylmethyl)benzonitrile
CID 63101547
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
CID 28721399
5-[1-(2,5-difluorophenyl)-2,3-dihydroindol-6-yl]-2H-triazole-4-carbonitrile
CID 122479013
1-[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-3-oxoindene-2-carbonitrile
CID 10248954
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 78821599
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)pyridine-3-carboxylic acid
CID 117212734
5-[3-[(1-benzylpyrazol-4-yl)methoxy]phenyl]-2H-triazole-4-carbonitrile
CID 122479682
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-4H-1,4-benzoxazin-3-one
CID 66716822

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile?
The IUPAC name of 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile (CID 122478261) is 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile.
What is the SMILES notation for 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile?
The canonical SMILES for 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile is N#Cc1n[nH]nc1-c1cccc(CN2CCCc3ccccc32)c1.
What is the InChIKey of 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile?
The InChIKey is NQWLYPAICCLOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c20-12-17-19(22-23-21-17)16-7-3-5-14(11-16)13-24-10-4-8-15-6-1-2-9-18(15)24/h1-3,5-7,9,11H,4,8,10,13H2,(H,21,22,23).
What are the key properties of 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile?
5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3,4-dihydro-2H-quinolin-1-ylmethyl)phenyl]-2H-triazole-4-carbonitrile is sourced from PubChem (CID 122478261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).