ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide

C14H26N4O — CID 154687902

IUPACethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
SMILESCC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1
InChIInChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3
InChIKeySRBILJXWKGWSPR-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.48
Rot. Bonds5

About ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide

ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide (PubChem CID 154687902) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide.

Molecular Properties

Compound Nameethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
PubChem CID154687902
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Nameethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide
SMILESCC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1
InChIInChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3
InChIKeySRBILJXWKGWSPR-UHFFFAOYSA-N
XLogP2.48
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-[1-(3-methylbutyl)pyrazol-4-yl]cyclopropyl]propanamide
CID 154687778
[3,3-difluoro-1-[1-(trimethylsilylmethyl)triazol-4-yl]cyclobutyl]carbamic acid
CID 151791600
(1R)-1-(1-propyltriazol-4-yl)ethanol
CID 130567201
2-methyl-N-[2-[1-[2-[2-(2-propoxyethoxy)ethoxy]ethyl]triazol-4-yl]ethyl]propanamide
CID 157240697
4-(2-methylpropyl)-1-propyltriazole
CID 89029688
3-methyl-1-(1-propyltriazol-4-yl)butan-1-ol
CID 145288458
4-methyl-1-propyltriazole
CID 59256869
2-methyl-N-[4-[4-(2-methylpropyl)triazol-1-yl]butyl]propanamide
CID 176586839
(2S)-2-amino-N-[1-[6-(1-methylpyrazol-4-yl)pyridazin-3-yl]cyclopropyl]propanamide;dihydrochloride
CID 67515255
ethane;(Z)-5-methyl-4-oxo-N-[[1-[2-(2-propoxyethoxy)ethyl]triazol-4-yl]methyl]hex-2-enamide
CID 178007945
1-[1-(cyclohexen-1-yl)ethyl]-3-(1-propyltriazol-4-yl)urea
CID 118788492
2-[1-(3-hydroxybutyl)triazol-4-yl]acetic acid
CID 107461319

Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The IUPAC name of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide (CID 154687902) is ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide.
What is the SMILES notation for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The canonical SMILES for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide is CC.CCCn1cc(C2(NC(=O)C(C)C)CC2)nn1.
What is the InChIKey of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
The InChIKey is SRBILJXWKGWSPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O.C2H6/c1-4-7-16-8-10(14-15-16)12(5-6-12)13-11(17)9(2)3;1-2/h8-9H,4-7H2,1-3H3,(H,13,17);1-2H3.
What are the key properties of ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide?
ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide has a molecular weight of 266.39 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-N-[1-(1-propyltriazol-4-yl)cyclopropyl]propanamide is sourced from PubChem (CID 154687902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).