N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride

C11H15ClN6O — CID 120505639

IUPACN-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C11H14N6O.ClH/c1-8(6-12)14-11(18)9-2-4-10(5-3-9)17-7-13-15-16-17;/h2-5,7-8H,6,12H2,1H3,(H,14,18);1H/t8-;/m0./s1
InChIKeyWQGUFZGICJLIPT-QRPNPIFTSA-N
MW282.74 g/mol
LogP0.16
Rot. Bonds4

About N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride

N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride (PubChem CID 120505639) has the molecular formula C11H15ClN6O and a molecular weight of 282.74 g/mol. Its IUPAC name is N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
PubChem CID120505639
Molecular FormulaC11H15ClN6O
Molecular Weight282.74 g/mol
Exact Mass282.10
IUPAC NameN-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride
SMILESC[C@@H](CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl
InChIInChI=1S/C11H14N6O.ClH/c1-8(6-12)14-11(18)9-2-4-10(5-3-9)17-7-13-15-16-17;/h2-5,7-8H,6,12H2,1H3,(H,14,18);1H/t8-;/m0./s1
InChIKeyWQGUFZGICJLIPT-QRPNPIFTSA-N
XLogP0.16
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.74
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
N-[(2R)-heptan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28934979
N-[(2R)-4-phenylbutan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 28935025
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
N-(1-amino-2,3-dimethylbutan-2-yl)-4-(tetrazol-1-yl)benzamide;hydrochloride
CID 119607738
N-[1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-4-(tetrazol-1-yl)benzamide
CID 50950440
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-[(2S)-1-aminopropan-2-yl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 120507810
N-butan-2-yl-3-(tetrazol-1-yl)benzamide
CID 42651210
N-[(1R)-1-(1-adamantyl)ethyl]-4-(tetrazol-1-yl)benzamide
CID 7769655
N-[(2S)-1-aminopropan-2-yl]-4-(trifluoromethyl)benzamide
CID 120506253
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The IUPAC name of N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride (CID 120505639) is N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride.
What is the SMILES notation for N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The canonical SMILES for N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride is C[C@@H](CN)NC(=O)c1ccc(-n2cnnn2)cc1.Cl.
What is the InChIKey of N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
The InChIKey is WQGUFZGICJLIPT-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H14N6O.ClH/c1-8(6-12)14-11(18)9-2-4-10(5-3-9)17-7-13-15-16-17;/h2-5,7-8H,6,12H2,1H3,(H,14,18);1H/t8-;/m0./s1.
What are the key properties of N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride?
N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride has a molecular weight of 282.74 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-aminopropan-2-yl]-4-(tetrazol-1-yl)benzamide;hydrochloride is sourced from PubChem (CID 120505639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).