4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C20H21N5O — CID 167932664

IUPAC4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nncn2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N5O/c21-18-11-10-17(15-8-4-5-9-16(15)18)19(26)23-20-24-22-13-25(20)12-14-6-2-1-3-7-14/h1-9,13,17-18H,10-12,21H2,(H,23,24,26)
InChIKeyYYXRLUSIIBVGDB-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.84
Rot. Bonds4

About 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 167932664) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
PubChem CID167932664
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
SMILESNC1CCC(C(=O)Nc2nncn2Cc2ccccc2)c2ccccc21
InChIInChI=1S/C20H21N5O/c21-18-11-10-17(15-8-4-5-9-16(15)18)19(26)23-20-24-22-13-25(20)12-14-6-2-1-3-7-14/h1-9,13,17-18H,10-12,21H2,(H,23,24,26)
InChIKeyYYXRLUSIIBVGDB-UHFFFAOYSA-N
XLogP2.84
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide with MolForge

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Related Compounds

6-amino-N-(4-benzyl-1,2,4-triazol-3-yl)bicyclo[3.2.0]heptane-3-carboxamide
CID 167809757
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-cyclopropylmethanone
CID 53192510
4-benzyl-3-chloro-1,2,4-triazole
CID 63384679
ethyl 4-benzyl-1,2,4-triazole-3-carboxylate
CID 172839532
(2R)-N-(1-benzylimidazol-2-yl)oxolane-2-carboxamide
CID 94211931
N-(4-benzyl-1,2,4-triazol-3-yl)-2-chloro-4-fluorobenzenesulfonamide
CID 100615789
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-2-yl)methanone
CID 53192506
N-(1-benzylimidazol-2-yl)piperidine-3-carboxamide
CID 119297675
1-benzyl-3-cyclopropylpyrazole-4-carboxamide
CID 156875605
[2-[2-(4-benzyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]-cyclopent-3-en-1-ylmethanone
CID 155881584
4-benzyl-3-(2-phenylethyl)-1,2,4-triazole
CID 141167274
[4-(4-benzyl-1,2,4-triazol-3-yl)piperidin-1-yl]-(furan-3-yl)methanone
CID 53192503

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The IUPAC name of 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 167932664) is 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.
What is the SMILES notation for 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The canonical SMILES for 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is NC1CCC(C(=O)Nc2nncn2Cc2ccccc2)c2ccccc21.
What is the InChIKey of 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
The InChIKey is YYXRLUSIIBVGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c21-18-11-10-17(15-8-4-5-9-16(15)18)19(26)23-20-24-22-13-25(20)12-14-6-2-1-3-7-14/h1-9,13,17-18H,10-12,21H2,(H,23,24,26).
What are the key properties of 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?
4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(4-benzyl-1,2,4-triazol-3-yl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 167932664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).