N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide

C11H20N4O — CID 78954217

IUPACN-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn[nH]n1)C(C)CC
InChIInChI=1S/C11H20N4O/c1-4-6-7-15(9(3)5-2)11(16)10-8-12-14-13-10/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyLZMIZPNAISGIRR-UHFFFAOYSA-N
MW224.31 g/mol
LogP1.85
Rot. Bonds6

About N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide

N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide (PubChem CID 78954217) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
PubChem CID78954217
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC NameN-butan-2-yl-N-butyl-2H-triazole-4-carboxamide
SMILESCCCCN(C(=O)c1cn[nH]n1)C(C)CC
InChIInChI=1S/C11H20N4O/c1-4-6-7-15(9(3)5-2)11(16)10-8-12-14-13-10/h8-9H,4-7H2,1-3H3,(H,12,13,14)
InChIKeyLZMIZPNAISGIRR-UHFFFAOYSA-N
XLogP1.85
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dihexyl-2H-triazole-4-carboxamide
CID 112733489
5-bromo-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 62953059
6-amino-N-butan-2-yl-N-butylpyridazine-3-carboxamide
CID 62186029
N-butan-2-yl-N-butyl-6-(ethylamino)pyridine-2-carboxamide
CID 62234511
N-butan-2-yl-N-butyl-2,6-dihydroxybenzamide
CID 107689251
5-amino-N-butan-2-yl-N-butyl-2-propan-2-ylpyrimidine-4-carboxamide
CID 62186030
N-(cyclopropylmethyl)-N-propan-2-yl-2H-triazole-4-carboxamide
CID 78968326
6-bromo-N-butan-2-yl-N-butylpyridine-3-carboxamide
CID 66462341
N-butan-2-yl-N-butyl-4-iodobenzamide
CID 60660036
3-amino-N-butan-2-yl-N-butylpyridine-2-carboxamide
CID 113447633
4-amino-N-butan-2-yl-N-butyl-5-propyl-1H-pyrazole-3-carboxamide
CID 62075783
N-[3-(dimethylamino)propyl]-N-ethyl-2H-triazole-4-carboxamide
CID 102978833

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide?
The IUPAC name of N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide (CID 78954217) is N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide?
The canonical SMILES for N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide is CCCCN(C(=O)c1cn[nH]n1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide?
The InChIKey is LZMIZPNAISGIRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-4-6-7-15(9(3)5-2)11(16)10-8-12-14-13-10/h8-9H,4-7H2,1-3H3,(H,12,13,14).
What are the key properties of N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide?
N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide has a molecular weight of 224.31 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-butyl-2H-triazole-4-carboxamide is sourced from PubChem (CID 78954217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).