1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

C17H18N6 — CID 154770298

IUPAC1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCC(c1ncccn1)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C17H18N6/c1-13(17-18-9-5-10-19-17)22-11-8-16-15(12-22)20-21-23(16)14-6-3-2-4-7-14/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyCAWCKQZZTGECMM-UHFFFAOYSA-N
MW306.37 g/mol
LogP2.18
Rot. Bonds3

About 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine

1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (PubChem CID 154770298) has the molecular formula C17H18N6 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.

Molecular Properties

Compound Name1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
PubChem CID154770298
Molecular FormulaC17H18N6
Molecular Weight306.37 g/mol
Exact Mass306.16
IUPAC Name1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine
SMILESCC(c1ncccn1)N1CCc2c(nnn2-c2ccccc2)C1
InChIInChI=1S/C17H18N6/c1-13(17-18-9-5-10-19-17)22-11-8-16-15(12-22)20-21-23(16)14-6-3-2-4-7-14/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyCAWCKQZZTGECMM-UHFFFAOYSA-N
XLogP2.18
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine;dihydrochloride
CID 2872006
5-ethyl-1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridine
CID 920235
N-ethyl-N-(2-methylprop-2-enyl)-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propanamide
CID 139010756
3-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]triazole
CID 13110863
3,3,3-trifluoro-2-hydroxy-2-methyl-1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 126527265
1-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)hex-5-en-2-ol
CID 139010761
7-methyl-2-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)-1,3-benzothiazole
CID 167848377
1-pyrimidin-2-yl-6,7-dihydro-4H-triazolo[4,5-c]pyridine-5-carbaldehyde
CID 134537911
(2,3-dichlorophenyl)-(1-phenyl-6,7-dihydro-4H-triazolo[4,5-c]pyridin-5-yl)methanone
CID 86270818
6-methyl-3-phenyl-4,8-dihydrooxepino[3,4-d]triazole
CID 10680805
5-[1-(1-phenyltriazol-4-yl)ethyl]-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 136520301
2-[4-(1-phenyltetrazol-5-yl)piperazin-1-yl]propanoic acid
CID 119924398

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The IUPAC name of 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine (CID 154770298) is 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine.
What is the SMILES notation for 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The canonical SMILES for 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is CC(c1ncccn1)N1CCc2c(nnn2-c2ccccc2)C1.
What is the InChIKey of 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
The InChIKey is CAWCKQZZTGECMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6/c1-13(17-18-9-5-10-19-17)22-11-8-16-15(12-22)20-21-23(16)14-6-3-2-4-7-14/h2-7,9-10,13H,8,11-12H2,1H3.
What are the key properties of 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine?
1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine has a molecular weight of 306.37 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(1-pyrimidin-2-ylethyl)-6,7-dihydro-4H-triazolo[4,5-c]pyridine is sourced from PubChem (CID 154770298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).