N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

C15H19N5O — CID 116649717

IUPACN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2CCCc3cc(N)ccc32)n[nH]1
InChIInChI=1S/C15H19N5O/c1-2-13-18-14(20-19-13)15(21)17-12-5-3-4-9-8-10(16)6-7-11(9)12/h6-8,12H,2-5,16H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVUHDLVJIYASFJR-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.76
Rot. Bonds3

About N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide

N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (PubChem CID 116649717) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
PubChem CID116649717
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC NameN-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide
SMILESCCc1nc(C(=O)NC2CCCc3cc(N)ccc32)n[nH]1
InChIInChI=1S/C15H19N5O/c1-2-13-18-14(20-19-13)15(21)17-12-5-3-4-9-8-10(16)6-7-11(9)12/h6-8,12H,2-5,16H2,1H3,(H,17,21)(H,18,19,20)
InChIKeyVUHDLVJIYASFJR-UHFFFAOYSA-N
XLogP1.76
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(aminomethyl)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 122081059
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 116649879
3-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1,1-dimethylurea
CID 116650161
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-bromopyridine-3-carboxamide
CID 116649702
(Z)-N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-methylpent-2-enamide
CID 116649737
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4,5-dimethylthiophene-2-carboxamide
CID 116649780
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-chloro-1H-pyrrole-2-carboxamide
CID 116649798
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-4-bromo-1H-pyrrole-2-carboxamide
CID 116649902
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-iodobenzamide
CID 116649897
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-2-iodobenzamide
CID 116649772
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-3-(dimethylamino)propanamide
CID 116649806
N-(5-amino-2,3-dihydro-1H-inden-1-yl)-3-ethylthiophene-2-carboxamide
CID 79741558

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The IUPAC name of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide (CID 116649717) is N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The canonical SMILES for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is CCc1nc(C(=O)NC2CCCc3cc(N)ccc32)n[nH]1.
What is the InChIKey of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
The InChIKey is VUHDLVJIYASFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-2-13-18-14(20-19-13)15(21)17-12-5-3-4-9-8-10(16)6-7-11(9)12/h6-8,12H,2-5,16H2,1H3,(H,17,21)(H,18,19,20).
What are the key properties of N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide?
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.76, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-5-ethyl-1H-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 116649717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).