N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide

C16H26N4O — CID 71855011

IUPACN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCc2nncn2C2CC2)CCC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-16(7-3-8-16)15(21)17-9-6-14-19-18-11-20(14)13-4-5-13/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyYRGXZLLKFMKSCD-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.49
Rot. Bonds7

About N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide

N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide (PubChem CID 71855011) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
PubChem CID71855011
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC NameN-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
SMILESCC(C)CC1(C(=O)NCCc2nncn2C2CC2)CCC1
InChIInChI=1S/C16H26N4O/c1-12(2)10-16(7-3-8-16)15(21)17-9-6-14-19-18-11-20(14)13-4-5-13/h11-13H,3-10H2,1-2H3,(H,17,21)
InChIKeyYRGXZLLKFMKSCD-UHFFFAOYSA-N
XLogP2.49
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-isopropyl-4H-1,2,4-triazol-3-yl)ethyl]cyclopentanecarboxamide
CID 45199342
N-[(4-cyclopropyl-1,2,4-triazol-3-yl)methyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide
CID 71921255
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methoxyethyl)cyclobutane-1-carboxamide
CID 75426800
N-[2-(3-cyclopropyl-1,2,4-triazol-4-yl)ethyl]-5,5-dimethylhexanamide
CID 72008992
N-{rel-(3R,4S)-1-[(4,5-dimethyl-4H-1,2,4-triazol-3-yl)methyl]-4-propyl-3-pyrrolidinyl}cyclobutanecarboxamide hydrochloride
CID 72913811
3,3,5-trimethyl-N-[3-(1-methyl-1,2,4-triazol-3-yl)propyl]cyclohexane-1-carboxamide
CID 126835295
4,4-dimethyl-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 132383385
N-[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)ethyl]spiro[3.3]heptane-2-carboxamide
CID 164628121
3-[4-cyclopropyl-5-(3-methylbutyl)-1,2,4-triazol-3-yl]-N-(2-methylcyclohexyl)propanamide
CID 121345662
2-amino-3-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 43706334
2-amino-4-methyl-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
CID 43706340
N-[2-(4-ethyl-4H-1,2,4-triazol-3-yl)ethyl]-1-isopropylpiperidine-4-carboxamide
CID 50961422

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide (CID 71855011) is N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide is CC(C)CC1(C(=O)NCCc2nncn2C2CC2)CCC1.
What is the InChIKey of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
The InChIKey is YRGXZLLKFMKSCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-12(2)10-16(7-3-8-16)15(21)17-9-6-14-19-18-11-20(14)13-4-5-13/h11-13H,3-10H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide?
N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-cyclopropyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methylpropyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 71855011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).