(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C15H19N5O — CID 63330633

IUPAC(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N5O/c1-20-10-18-19-14(20)6-7-16-15(21)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,10,13,17H,6-9H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyPZRIXGYBTACWNL-CYBMUJFWSA-N
MW285.35 g/mol
LogP0.19
Rot. Bonds4

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

(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 63330633) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID63330633
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2CN1
InChIInChI=1S/C15H19N5O/c1-20-10-18-19-14(20)6-7-16-15(21)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,10,13,17H,6-9H2,1H3,(H,16,21)/t13-/m1/s1
InChIKeyPZRIXGYBTACWNL-CYBMUJFWSA-N
XLogP0.19
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 63330633) is (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is Cn1cnnc1CCNC(=O)[C@H]1Cc2ccccc2CN1.
What is the InChIKey of (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is PZRIXGYBTACWNL-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H19N5O/c1-20-10-18-19-14(20)6-7-16-15(21)13-8-11-4-2-3-5-12(11)9-17-13/h2-5,10,13,17H,6-9H2,1H3,(H,16,21)/t13-/m1/s1.
What are the key properties of (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 63330633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).