[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride

C10H14ClN5O — CID 119106406

IUPAC[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCCOc1ccc(-n2nnnc2CN)cc1.Cl
InChIInChI=1S/C10H13N5O.ClH/c1-2-16-9-5-3-8(4-6-9)15-10(7-11)12-13-14-15;/h3-6H,2,7,11H2,1H3;1H
InChIKeyIOCBEAVIWNOPDF-UHFFFAOYSA-N
MW255.71 g/mol
LogP0.94
Rot. Bonds4

About [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride

[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride (PubChem CID 119106406) has the molecular formula C10H14ClN5O and a molecular weight of 255.71 g/mol. Its IUPAC name is [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride.

Molecular Properties

Compound Name[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
PubChem CID119106406
Molecular FormulaC10H14ClN5O
Molecular Weight255.71 g/mol
Exact Mass255.09
IUPAC Name[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride
SMILESCCOc1ccc(-n2nnnc2CN)cc1.Cl
InChIInChI=1S/C10H13N5O.ClH/c1-2-16-9-5-3-8(4-6-9)15-10(7-11)12-13-14-15;/h3-6H,2,7,11H2,1H3;1H
InChIKeyIOCBEAVIWNOPDF-UHFFFAOYSA-N
XLogP0.94
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.71
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]propan-2-amine
CID 55109238
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
1-[4-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone
CID 30858415
4-chloro-N-[[1-(4-ethoxyphenyl)tetrazol-5-yl]methyl]benzenesulfonamide
CID 22579938
[1-(4-ethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82196030
[4-[(1-phenyltetrazol-5-yl)methoxy]phenyl]methanamine
CID 106484887
[5-cyclopropyl-1-(4-ethoxyphenyl)triazol-4-yl]methanamine
CID 82196033
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine
CID 2140206
[1-(4-ethoxyphenyl)-5-(trifluoromethyl)triazol-4-yl]methanamine
CID 82196045
2-[4-(5-methyltetrazol-1-yl)phenoxy]ethanamine
CID 82512738
[1-[4-(4-methylpiperidin-1-yl)phenyl]tetrazol-5-yl]methanamine
CID 82227869
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823

Frequently Asked Questions

What is the IUPAC name of [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride?
The IUPAC name of [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride (CID 119106406) is [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride.
What is the SMILES notation for [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride?
The canonical SMILES for [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride is CCOc1ccc(-n2nnnc2CN)cc1.Cl.
What is the InChIKey of [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride?
The InChIKey is IOCBEAVIWNOPDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.ClH/c1-2-16-9-5-3-8(4-6-9)15-10(7-11)12-13-14-15;/h3-6H,2,7,11H2,1H3;1H.
What are the key properties of [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride?
[1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride has a molecular weight of 255.71 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-ethoxyphenyl)tetrazol-5-yl]methanamine;hydrochloride is sourced from PubChem (CID 119106406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).