2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

C18H17N5O — CID 51093174

IUPAC2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cncn2)c1)N1CCCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-18(15-8-9-20-17(11-15)23-13-19-12-21-23)22-10-4-3-6-14-5-1-2-7-16(14)22/h1-2,5,7-9,11-13H,3-4,6,10H2
InChIKeyPDLVPSOCHPANPF-UHFFFAOYSA-N
MW319.37 g/mol
LogP2.65
Rot. Bonds2

About 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone

2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (PubChem CID 51093174) has the molecular formula C18H17N5O and a molecular weight of 319.37 g/mol. Its IUPAC name is 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.

Molecular Properties

Compound Name2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
PubChem CID51093174
Molecular FormulaC18H17N5O
Molecular Weight319.37 g/mol
Exact Mass319.14
IUPAC Name2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
SMILESO=C(c1ccnc(-n2cncn2)c1)N1CCCCc2ccccc21
InChIInChI=1S/C18H17N5O/c24-18(15-8-9-20-17(11-15)23-13-19-12-21-23)22-10-4-3-6-14-5-1-2-7-16(14)22/h1-2,5,7-9,11-13H,3-4,6,10H2
InChIKeyPDLVPSOCHPANPF-UHFFFAOYSA-N
XLogP2.65
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone with MolForge

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Related Compounds

[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
2,3-dihydroindol-1-yl-[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methanone
CID 25466745
[(2R)-2-ethyl-2,3-dihydro-1,4-benzoxazin-4-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 99816943
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109084967
3,4-dihydro-2H-quinolin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
CID 90600970
3-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-pyridinyl]-1H-quinazoline-2,4-dione
CID 23120212
3,4-dihydro-2H-quinolin-1-yl-[2-(ethylamino)-4-pyridinyl]methanone
CID 62172303
(3-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 71987124
[4-(4-methylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone
CID 51091736
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 51091744
N-tert-butyl-4-[2-(1,2,4-triazol-1-yl)pyridine-4-carbonyl]piperazine-1-carboxamide
CID 166221581

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The IUPAC name of 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone (CID 51093174) is 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone.
What is the SMILES notation for 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The canonical SMILES for 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is O=C(c1ccnc(-n2cncn2)c1)N1CCCCc2ccccc21.
What is the InChIKey of 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
The InChIKey is PDLVPSOCHPANPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O/c24-18(15-8-9-20-17(11-15)23-13-19-12-21-23)22-10-4-3-6-14-5-1-2-7-16(14)22/h1-2,5,7-9,11-13H,3-4,6,10H2.
What are the key properties of 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone?
2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone has a molecular weight of 319.37 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5-tetrahydro-1-benzazepin-1-yl-[2-(1,2,4-triazol-1-yl)-4-pyridinyl]methanone is sourced from PubChem (CID 51093174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).