N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

C13H19ClN6O — CID 119504464

IUPACN-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-10(13(20)15-9-8-14-2)19-17-12(16-18-19)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3,(H,15,20);1H
InChIKeyNMRNUAJXWDTGQE-UHFFFAOYSA-N
MW310.79 g/mol
LogP0.66
Rot. Bonds6

About N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride

N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (PubChem CID 119504464) has the molecular formula C13H19ClN6O and a molecular weight of 310.79 g/mol. Its IUPAC name is N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
PubChem CID119504464
Molecular FormulaC13H19ClN6O
Molecular Weight310.79 g/mol
Exact Mass310.13
IUPAC NameN-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
SMILESCNCCNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl
InChIInChI=1S/C13H18N6O.ClH/c1-10(13(20)15-9-8-14-2)19-17-12(16-18-19)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3,(H,15,20);1H
InChIKeyNMRNUAJXWDTGQE-UHFFFAOYSA-N
XLogP0.66
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.79
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119434349
N-(1-amino-4-methylpentan-2-yl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119588881
2-(5-phenyltetrazol-2-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 86908769
2,2-dimethyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119250098
N-(2-amino-2-ethylbutyl)-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride
CID 119644028
2-benzyl-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]propanoic acid
CID 119233917
N-[2-(ethylamino)ethyl]-3-methyl-2-(5-phenyltetrazol-2-yl)butanamide
CID 119505106
N-(2-methylphenyl)-2-(5-phenyltetrazol-2-yl)propanamide
CID 84602572
N-[3-(hydroxymethyl)phenyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 111487110
N-[1-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)propanamide
CID 119568560
2-(5-phenyltetrazol-2-yl)-N-(4-phenyl-1,2,4-triazol-3-yl)propanamide
CID 75440170
cis-(1R,3S)-3-[2-(5-phenyltetrazol-2-yl)propanoylamino]cyclopentane-1-carboxylic acid
CID 120678868

Frequently Asked Questions

What is the IUPAC name of N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The IUPAC name of N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride (CID 119504464) is N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride.
What is the SMILES notation for N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The canonical SMILES for N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is CNCCNC(=O)C(C)n1nnc(-c2ccccc2)n1.Cl.
What is the InChIKey of N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
The InChIKey is NMRNUAJXWDTGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O.ClH/c1-10(13(20)15-9-8-14-2)19-17-12(16-18-19)11-6-4-3-5-7-11;/h3-7,10,14H,8-9H2,1-2H3,(H,15,20);1H.
What are the key properties of N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride?
N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride has a molecular weight of 310.79 g/mol, XLogP of 0.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(methylamino)ethyl]-2-(5-phenyltetrazol-2-yl)propanamide;hydrochloride is sourced from PubChem (CID 119504464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).