N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide

C15H24N4O — CID 50980478

IUPACN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H24N4O/c1-2-10-3-5-12(6-4-10)15(20)16-9-13-17-14(19-18-13)11-7-8-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXGYUMVOYCVFJJA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.51
Rot. Bonds5

About N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide

N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide (PubChem CID 50980478) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide
PubChem CID50980478
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC NameN-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide
SMILESCCC1CCC(C(=O)NCc2nc(C3CC3)n[nH]2)CC1
InChIInChI=1S/C15H24N4O/c1-2-10-3-5-12(6-4-10)15(20)16-9-13-17-14(19-18-13)11-7-8-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyXGYUMVOYCVFJJA-UHFFFAOYSA-N
XLogP2.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide?
The IUPAC name of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide (CID 50980478) is N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide.
What is the SMILES notation for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide?
The canonical SMILES for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide is CCC1CCC(C(=O)NCc2nc(C3CC3)n[nH]2)CC1.
What is the InChIKey of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide?
The InChIKey is XGYUMVOYCVFJJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-2-10-3-5-12(6-4-10)15(20)16-9-13-17-14(19-18-13)11-7-8-11/h10-12H,2-9H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide?
N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide has a molecular weight of 276.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1H-1,2,4-triazol-5-yl)methyl]-4-ethylcyclohexane-1-carboxamide is sourced from PubChem (CID 50980478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).