1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride

C9H12ClN5O — CID 71298734

IUPAC1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride
SMILESCl.NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C9H11N5O.ClH/c10-6-7-13-9(15)14(12-11-13)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyCBFXUTFXMOTEGS-UHFFFAOYSA-N
MW241.68 g/mol
LogP-0.19
Rot. Bonds3

About 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride

1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride (PubChem CID 71298734) has the molecular formula C9H12ClN5O and a molecular weight of 241.68 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride
PubChem CID71298734
Molecular FormulaC9H12ClN5O
Molecular Weight241.68 g/mol
Exact Mass241.07
IUPAC Name1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride
SMILESCl.NCCn1nnn(-c2ccccc2)c1=O
InChIInChI=1S/C9H11N5O.ClH/c10-6-7-13-9(15)14(12-11-13)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H
InChIKeyCBFXUTFXMOTEGS-UHFFFAOYSA-N
XLogP-0.19
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-oxo-4-phenyltetrazol-1-yl)propyl]-4-phenyltetrazol-5-one
CID 40598560
1-octyl-4-phenyltetrazol-5-one
CID 15508327
1-(2-aminobutyl)-4-phenyltetrazol-5-one
CID 23607800
2-(2-fluorophenyl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]acetamide
CID 46959742
4-[2-(5-oxo-4-phenyltetrazol-1-yl)ethoxy]benzonitrile
CID 17481456
1-[2-(3-chlorophenoxy)ethyl]-4-phenyltetrazol-5-one
CID 18098879
(2S)-2-(benzotriazol-2-yl)-N-[2-(5-oxo-4-phenyltetrazol-1-yl)ethyl]propanamide
CID 51494712
1-[(4-methoxyphenyl)methyl]-4-phenyltetrazol-5-one
CID 16579069
1-[[benzyl(ethyl)amino]methyl]-4-phenyltetrazol-5-one
CID 9193926
1-[2-oxo-2-(5-phenyl-3,4-dihydropyrazol-2-yl)ethyl]-4-phenyltetrazol-5-one
CID 17491197
1-[(6-methoxy-3-pyridinyl)methyl]-4-phenyltetrazol-5-one
CID 122144248
1-[4-amino-2-(difluoromethylidene)butyl]-4-(4-bromophenyl)tetrazol-5-one
CID 175499462

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride?
The IUPAC name of 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride (CID 71298734) is 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride.
What is the SMILES notation for 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride?
The canonical SMILES for 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride is Cl.NCCn1nnn(-c2ccccc2)c1=O.
What is the InChIKey of 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride?
The InChIKey is CBFXUTFXMOTEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O.ClH/c10-6-7-13-9(15)14(12-11-13)8-4-2-1-3-5-8;/h1-5H,6-7,10H2;1H.
What are the key properties of 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride?
1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride has a molecular weight of 241.68 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-phenyltetrazol-5-one;hydrochloride is sourced from PubChem (CID 71298734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).