N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide

C13H21N7O — CID 135101819

IUPACN-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCCC(NC(=O)CCn1nnnc1C)c1nccn1C
InChIInChI=1S/C13H21N7O/c1-4-5-11(13-14-7-9-19(13)3)15-12(21)6-8-20-10(2)16-17-18-20/h7,9,11H,4-6,8H2,1-3H3,(H,15,21)
InChIKeyWQBJPIGGOOVQFG-UHFFFAOYSA-N
MW291.36 g/mol
LogP0.76
Rot. Bonds7

About N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 135101819) has the molecular formula C13H21N7O and a molecular weight of 291.36 g/mol. Its IUPAC name is N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID135101819
Molecular FormulaC13H21N7O
Molecular Weight291.36 g/mol
Exact Mass291.18
IUPAC NameN-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCCCC(NC(=O)CCn1nnnc1C)c1nccn1C
InChIInChI=1S/C13H21N7O/c1-4-5-11(13-14-7-9-19(13)3)15-12(21)6-8-20-10(2)16-17-18-20/h7,9,11H,4-6,8H2,1-3H3,(H,15,21)
InChIKeyWQBJPIGGOOVQFG-UHFFFAOYSA-N
XLogP0.76
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.36
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2,4-dioxopyrimidin-1-yl)-N-[1-(1-methylimidazol-2-yl)butyl]propanamide
CID 91797052
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91784996
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(1R)-1-(1-methylimidazol-2-yl)butyl]acetamide
CID 125437638
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 91792687
3-(3-chloro-1H-1,2,4-triazol-5-yl)-N-[(1S)-1-(1-methylimidazol-2-yl)butyl]propanamide
CID 125437651
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-2-oxo-2-pyrrolidin-1-ylacetamide
CID 125178024
N-[(1R)-3-methyl-1-pyridin-3-ylbutyl]-3-(5-methyltetrazol-1-yl)propanamide
CID 125168942
1-cyclobutyl-3-[1-(1-methylimidazol-2-yl)butyl]urea
CID 122560812
3-methyl-N-[1-(1-methylimidazol-2-yl)butyl]thiophene-2-carboxamide
CID 118793775
N-[(1S)-1-(1-methylimidazol-2-yl)butyl]-2-phenylmethoxyacetamide
CID 125443273
1-methyl-N-[1-(1-methylimidazol-2-yl)butyl]pyrazole-3-carboxamide
CID 122567737
N-[(1R)-1-(1-methylimidazol-2-yl)butyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 125435014

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 135101819) is N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide is CCCC(NC(=O)CCn1nnnc1C)c1nccn1C.
What is the InChIKey of N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is WQBJPIGGOOVQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N7O/c1-4-5-11(13-14-7-9-19(13)3)15-12(21)6-8-20-10(2)16-17-18-20/h7,9,11H,4-6,8H2,1-3H3,(H,15,21).
What are the key properties of N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 291.36 g/mol, XLogP of 0.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylimidazol-2-yl)butyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 135101819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).