N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride

C10H14ClN5 — CID 163326027

IUPACN-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride
SMILESCCc1ccc(CNc2nn[nH]n2)cc1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-2-8-3-5-9(6-4-8)7-11-10-12-14-15-13-10;/h3-6H,2,7H2,1H3,(H2,11,12,13,14,15);1H
InChIKeyOAVLEQWSKIBPQY-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.80
Rot. Bonds4

About N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride

N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride (PubChem CID 163326027) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride
PubChem CID163326027
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC NameN-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride
SMILESCCc1ccc(CNc2nn[nH]n2)cc1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-2-8-3-5-9(6-4-8)7-11-10-12-14-15-13-10;/h3-6H,2,7H2,1H3,(H2,11,12,13,14,15);1H
InChIKeyOAVLEQWSKIBPQY-UHFFFAOYSA-N
XLogP1.80
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride (CID 163326027) is N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride is CCc1ccc(CNc2nn[nH]n2)cc1.Cl.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride?
The InChIKey is OAVLEQWSKIBPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.ClH/c1-2-8-3-5-9(6-4-8)7-11-10-12-14-15-13-10;/h3-6H,2,7H2,1H3,(H2,11,12,13,14,15);1H.
What are the key properties of N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride?
N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-2H-tetrazol-5-amine;hydrochloride is sourced from PubChem (CID 163326027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).