N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

C12H19N7O — CID 90652452

IUPACN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1ncn(CCNC(=O)CCn2nnnc2C)c1C
InChIInChI=1S/C12H19N7O/c1-9-10(2)18(8-14-9)7-5-13-12(20)4-6-19-11(3)15-16-17-19/h8H,4-7H2,1-3H3,(H,13,20)
InChIKeyJIIFMBQIVOOBRD-UHFFFAOYSA-N
MW277.33 g/mol
LogP0.00
Rot. Bonds6

About N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide

N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (PubChem CID 90652452) has the molecular formula C12H19N7O and a molecular weight of 277.33 g/mol. Its IUPAC name is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
PubChem CID90652452
Molecular FormulaC12H19N7O
Molecular Weight277.33 g/mol
Exact Mass277.17
IUPAC NameN-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide
SMILESCc1ncn(CCNC(=O)CCn2nnnc2C)c1C
InChIInChI=1S/C12H19N7O/c1-9-10(2)18(8-14-9)7-5-13-12(20)4-6-19-11(3)15-16-17-19/h8H,4-7H2,1-3H3,(H,13,20)
InChIKeyJIIFMBQIVOOBRD-UHFFFAOYSA-N
XLogP0.00
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-(4,5-dimethyl-1H-imidazol-1-yl)ethyl]-3-(2-ethyl-1H-imidazol-1-yl)propanamide
CID 90647467
2-(4,5-dimethyl-1H-imidazol-1-yl)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}acetamide
CID 91794635
N-[(4-propyl-1,2,4-triazol-3-yl)methyl]-1-(1,4,5-trimethylimidazol-2-yl)methanamine
CID 131937077
2-[5-(1,4-dimethyl-1H-imidazol-5-yl)-1-(2,2,2-trifluoroethyl)-1H-1,2,4-triazol-3-yl]-N-methylacetamide
CID 155497986
3-(4,5-dimethylimidazol-1-yl)-N-propan-2-ylpropanamide
CID 53700598
3-(4,5-dimethylimidazol-1-yl)-N-propylpropanamide
CID 54477408
3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
CID 54510194
3-(4,5-dimethylimidazol-1-yl)-N-ethylpropanamide
CID 54539106
1-(1-Ethyl-1,2,4-triazol-3-yl)-3-[(1,4,5-trimethylimidazol-2-yl)methyl]urea
CID 45251584
N-(3-aminopropyl)-3-(4,5-dimethylimidazol-1-yl)-N-methylpropanamide
CID 55064450
3-(4,5-Dimethylimidazol-1-yl)-1-piperazin-1-ylpropan-1-one
CID 62543600
2-{1-butyl-5-[(4,5-dimethyl-1H-imidazol-1-yl)methyl]-1H-1,2,4-triazol-3-yl}acetamide
CID 72896730

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide (CID 90652452) is N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is Cc1ncn(CCNC(=O)CCn2nnnc2C)c1C.
What is the InChIKey of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is JIIFMBQIVOOBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O/c1-9-10(2)18(8-14-9)7-5-13-12(20)4-6-19-11(3)15-16-17-19/h8H,4-7H2,1-3H3,(H,13,20).
What are the key properties of N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide?
N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 277.33 g/mol, XLogP of 0.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethylimidazol-1-yl)ethyl]-3-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 90652452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).