N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride

C10H14ClN5 — CID 3031919

IUPACN-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h3-7,11H,2,8H2,1H3;1H
InChIKeyOHSYKIWXNYOVJR-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.19
Rot. Bonds4

About N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride (PubChem CID 3031919) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride.

Molecular Properties

Compound NameN-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
PubChem CID3031919
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC NameN-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride
SMILESCCNCc1nnnn1-c1ccccc1.Cl
InChIInChI=1S/C10H13N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h3-7,11H,2,8H2,1H3;1H
InChIKeyOHSYKIWXNYOVJR-UHFFFAOYSA-N
XLogP1.19
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-phenyltetrazol-5-yl)methyl]ethanamine
CID 3031920
2-[[(1-phenyltetrazol-5-yl)methylamino]methyl]phenol
CID 115603162
2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 55108359
N-ethyl-2-[(1-phenyltetrazol-5-yl)methyl]butan-1-amine
CID 62529368
1-(4-methylcyclohexyl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 63243666
N-ethoxy-1-(1-phenyltetrazol-5-yl)methanamine
CID 60702902
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenyltetrazol-5-yl)methyl]methanamine
CID 62627608
5-[(1-phenyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107317393
2-ethoxy-2-methyl-N-[(1-phenyltetrazol-5-yl)methyl]propan-1-amine
CID 114941953
N-ethyl-4-methyl-2-[(1-phenyltetrazol-5-yl)methyl]pentan-1-amine
CID 62529711
3-[(1-phenyltetrazol-5-yl)methylamino]-N-propylpropanamide
CID 62626872
N-[[1-(3,5-dimethoxyphenyl)tetrazol-5-yl]methyl]ethanamine
CID 62736103

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The IUPAC name of N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride (CID 3031919) is N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride.
What is the SMILES notation for N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The canonical SMILES for N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride is CCNCc1nnnn1-c1ccccc1.Cl.
What is the InChIKey of N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
The InChIKey is OHSYKIWXNYOVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5.ClH/c1-2-11-8-10-12-13-14-15(10)9-6-4-3-5-7-9;/h3-7,11H,2,8H2,1H3;1H.
What are the key properties of N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride?
N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenyltetrazol-5-yl)methyl]ethanamine;hydrochloride is sourced from PubChem (CID 3031919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).