4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide

C14H22N6O — CID 56786966

IUPAC4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C14H22N6O/c1-10(2)13-17-14(19(4)18-13)16-12(21)6-5-8-20-9-7-15-11(20)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18,21)
InChIKeyABUSOLUKRROWKA-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.86
Rot. Bonds6

About 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide

4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide (PubChem CID 56786966) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide
PubChem CID56786966
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide
SMILESCc1nccn1CCCC(=O)Nc1nc(C(C)C)nn1C
InChIInChI=1S/C14H22N6O/c1-10(2)13-17-14(19(4)18-13)16-12(21)6-5-8-20-9-7-15-11(20)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18,21)
InChIKeyABUSOLUKRROWKA-UHFFFAOYSA-N
XLogP1.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-Imidazol-1-ylethyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 53521957
1-(3-Imidazol-1-ylpropyl)-3-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]urea
CID 71894160
N-[3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72860398
N-[2-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)ethyl]-2-(2-isopropyl-1H-imidazol-1-yl)propanamide
CID 72922086
(2S)-N-ethyl-2-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-(1,2,4-triazol-1-yl)propanamide
CID 124758263
N-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-(4-methyl-1,2,4-triazol-3-yl)propanamide
CID 125443784
N-(1-cyclohexyl-1,2,4-triazol-3-yl)-3-(2-propan-2-ylimidazol-1-yl)propanamide
CID 127830037
2-[5-[1-(1H-imidazol-1-ylmethyl)cyclopropyl]-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]acetamide formate
CID 131920108
4,4,4-trifluoro-3-(1-methylimidazol-2-yl)-N-(1,3,4-thiadiazol-2-yl)butanamide
CID 154836279
N-[2-(2-fluoroethyl)triazol-4-yl]-2-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)acetamide
CID 166380035
N-[(1-methyl-1H-imidazol-2-yl)methyl]-4-{5-[(4-methyl-1-piperidinyl)methyl]-1H-tetrazol-1-yl}butanamide
CID 42530283
2-(2-isopropyl-1H-imidazol-1-yl)-N-[(4-isopropyl-4H-1,2,4-triazol-3-yl)methyl]-N-methylpropanamide
CID 50967017

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide?
The IUPAC name of 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide (CID 56786966) is 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide.
What is the SMILES notation for 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide?
The canonical SMILES for 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide is Cc1nccn1CCCC(=O)Nc1nc(C(C)C)nn1C.
What is the InChIKey of 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide?
The InChIKey is ABUSOLUKRROWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-10(2)13-17-14(19(4)18-13)16-12(21)6-5-8-20-9-7-15-11(20)3/h7,9-10H,5-6,8H2,1-4H3,(H,16,17,18,21).
What are the key properties of 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide?
4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide has a molecular weight of 290.37 g/mol, XLogP of 1.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylimidazol-1-yl)-N-(2-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)butanamide is sourced from PubChem (CID 56786966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).