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

C19H20ClN5O — CID 91659759

IUPACN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21
InChIInChI=1S/C19H19N5O.ClH/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);1H
InChIKeyVYFMFBFAJJYXIL-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.19
Rot. Bonds4

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

N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (PubChem CID 91659759) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
PubChem CID91659759
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride
SMILESCl.O=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21
InChIInChI=1S/C19H19N5O.ClH/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);1H
InChIKeyVYFMFBFAJJYXIL-UHFFFAOYSA-N
XLogP2.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The IUPAC name of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride (CID 91659759) is N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride.
What is the SMILES notation for N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The canonical SMILES for N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride is Cl.O=C(NCc1cn(-c2ccccc2)nn1)C1NCCc2ccccc21.
What is the InChIKey of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
The InChIKey is VYFMFBFAJJYXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O.ClH/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);1H.
What are the key properties of N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride?
N-[(1-phenyltriazol-4-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide;hydrochloride has a molecular weight of 369.86 g/mol, XLogP of 2.19, 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;hydrochloride is sourced from PubChem (CID 91659759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).