N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C19H19N5O — CID 91659760

IUPACN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21
InChIInChI=1S/C19H19N5O/c25-19(18-17-9-5-4-6-14(17)10-11-20-18)21-12-15-13-24(23-22-15)16-7-2-1-3-8-16/h1-9,13,18,20H,10-12H2,(H,21,25)
InChIKeyLVCMPRNQIOHAJK-UHFFFAOYSA-N
MW333.40 g/mol
LogP1.77
Rot. Bonds4

About N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 91659760) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID91659760
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESO=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21
InChIInChI=1S/C19H19N5O/c25-19(18-17-9-5-4-6-14(17)10-11-20-18)21-12-15-13-24(23-22-15)16-7-2-1-3-8-16/h1-9,13,18,20H,10-12H2,(H,21,25)
InChIKeyLVCMPRNQIOHAJK-UHFFFAOYSA-N
XLogP1.77
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819697
2-phenyl-N-[7-(4-pyridin-3-yltriazol-1-yl)heptyl]benzamide
CID 86298751
2-phenyl-N-[6-(4-pyridin-3-yltriazol-1-yl)hexyl]benzamide
CID 86305871
2-[2-[7-(4-Pyridin-3-yltriazol-1-yl)heptylcarbamoyl]phenyl]benzamide
CID 117679407
2-phenyl-N-[8-(4-pyridin-3-yltriazol-1-yl)octyl]benzamide
CID 117679676
N-(2-phenylphenyl)-7-(4-pyridin-3-yltriazol-1-yl)heptanamide
CID 44819696
N-[1,1a(2)-Biphenyl]-2-yl-4-(3-pyridinyl)-1H-1,2,3-triazole-1-nonanamide
CID 44819698
N-(2,2-diphenylethyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819700
N-(2,2-diphenylethyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819701
N-(2-benzylphenyl)-8-(4-pyridin-3-yltriazol-1-yl)octanamide
CID 44819873
N-(2-benzylphenyl)-9-(4-pyridin-3-yltriazol-1-yl)nonanamide
CID 44819874
N1-(2-aminophenyl)-N8-(3-(4-phenyl-1H-1,2,3-triazol-1-yl)phenyl)octanediamide
CID 46881225

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 91659760) is N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is O=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21.
What is the InChIKey of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is LVCMPRNQIOHAJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(18-17-9-5-4-6-14(17)10-11-20-18)21-12-15-13-24(23-22-15)16-7-2-1-3-8-16/h1-9,13,18,20H,10-12H2,(H,21,25).
What are the key properties of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 91659760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).