4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide

C12H22N4O — CID 119063006

IUPAC4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCn1ncnc1CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H22N4O/c1-12(2,3)7-5-11(17)13-8-6-10-14-9-15-16(10)4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyHMFVVGOTDGKBFJ-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.30
Rot. Bonds5

About 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide

4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (PubChem CID 119063006) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.

Molecular Properties

Compound Name4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
PubChem CID119063006
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide
SMILESCn1ncnc1CCNC(=O)CCC(C)(C)C
InChIInChI=1S/C12H22N4O/c1-12(2,3)7-5-11(17)13-8-6-10-14-9-15-16(10)4/h9H,5-8H2,1-4H3,(H,13,17)
InChIKeyHMFVVGOTDGKBFJ-UHFFFAOYSA-N
XLogP1.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]propan-1-amine
CID 115689868
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 70784406
2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]acetamide
CID 91774953
1-(2-fluoro-5-methylphenyl)-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 72926635
5,5,5-trifluoro-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 79952995
2-[3-(2-methyl-1,2,4-triazol-3-yl)propylamino]pyrimidine-5-carboxylic acid
CID 167989741
N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]-4-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)butanamide
CID 119067084
N-(5,5-dimethylhexyl)-4,4-dimethylpentanamide
CID 59197749
1-[(2S)-2-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-3-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97328923
N-[2-(2,2-dimethylpropanoylamino)ethyl]-4,4-dimethylpentanamide
CID 155054535
(1S)-1-(4-methoxyphenyl)-2,2-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]cyclopropane-1-carboxamide
CID 125161826
5-(methylamino)-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-one
CID 116555705

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The IUPAC name of 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide (CID 119063006) is 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide.
What is the SMILES notation for 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The canonical SMILES for 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is Cn1ncnc1CCNC(=O)CCC(C)(C)C.
What is the InChIKey of 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
The InChIKey is HMFVVGOTDGKBFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-12(2,3)7-5-11(17)13-8-6-10-14-9-15-16(10)4/h9H,5-8H2,1-4H3,(H,13,17).
What are the key properties of 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide?
4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide has a molecular weight of 238.33 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-N-[2-(2-methyl-1,2,4-triazol-3-yl)ethyl]pentanamide is sourced from PubChem (CID 119063006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).