N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

C16H20N4O — CID 45214166

IUPACN-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H20N4O/c1-12(9-20-11-17-10-18-20)19-16(21)15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-12,15H,6-9H2,1H3,(H,19,21)
InChIKeyWWULWPAZHJKKLA-UHFFFAOYSA-N
MW284.36 g/mol
LogP1.59
Rot. Bonds4

About N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide

N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (PubChem CID 45214166) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
PubChem CID45214166
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
SMILESCC(Cn1cncn1)NC(=O)C1CCc2ccccc2C1
InChIInChI=1S/C16H20N4O/c1-12(9-20-11-17-10-18-20)19-16(21)15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-12,15H,6-9H2,1H3,(H,19,21)
InChIKeyWWULWPAZHJKKLA-UHFFFAOYSA-N
XLogP1.59
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide (CID 45214166) is N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is CC(Cn1cncn1)NC(=O)C1CCc2ccccc2C1.
What is the InChIKey of N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
The InChIKey is WWULWPAZHJKKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(9-20-11-17-10-18-20)19-16(21)15-7-6-13-4-2-3-5-14(13)8-15/h2-5,10-12,15H,6-9H2,1H3,(H,19,21).
What are the key properties of N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide?
N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,2,4-triazol-1-yl)propan-2-yl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 45214166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).