[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine

C9H10ClN5O — CID 62737585

IUPAC[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(-n2nnnc2CN)cc1Cl
InChIInChI=1S/C9H10ClN5O/c1-16-8-3-2-6(4-7(8)10)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyNYQRLHVDANWVFU-UHFFFAOYSA-N
MW239.67 g/mol
LogP0.78
Rot. Bonds3

About [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine

[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine (PubChem CID 62737585) has the molecular formula C9H10ClN5O and a molecular weight of 239.67 g/mol. Its IUPAC name is [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
PubChem CID62737585
Molecular FormulaC9H10ClN5O
Molecular Weight239.67 g/mol
Exact Mass239.06
IUPAC Name[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine
SMILESCOc1ccc(-n2nnnc2CN)cc1Cl
InChIInChI=1S/C9H10ClN5O/c1-16-8-3-2-6(4-7(8)10)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3
InChIKeyNYQRLHVDANWVFU-UHFFFAOYSA-N
XLogP0.78
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.67
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]methanamine
CID 62738146
[1-(4-chlorophenyl)tetrazol-5-yl]methanamine;hydrochloride
CID 71779054
2-[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]sulfanylacetic acid
CID 29070392
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
[1-(2,4-dimethoxyphenyl)tetrazol-5-yl]methanamine
CID 62737017
[1-(3-bromo-5-methoxyphenyl)tetrazol-5-yl]methanamine
CID 82859823
1-(4-chloro-3-methoxyphenyl)tetrazol-5-amine
CID 107623543
2-[1-(4-chloro-2,5-dimethoxyphenyl)tetrazol-5-yl]ethanamine
CID 82227998
[1-(3-chloro-4-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 95483572
1-(3-chloro-4-methoxyphenyl)-3-(chloromethyl)-5-methylpyrazole
CID 94697073
2-[4-(3-chloro-4-methoxyphenyl)-5-(chloromethyl)-1,2,4-triazol-3-yl]ethanamine
CID 83968020
N-[[1-(3,4-dimethoxyphenyl)tetrazol-5-yl]methyl]propan-1-amine
CID 62737780

Frequently Asked Questions

What is the IUPAC name of [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine (CID 62737585) is [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine is COc1ccc(-n2nnnc2CN)cc1Cl.
What is the InChIKey of [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine?
The InChIKey is NYQRLHVDANWVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN5O/c1-16-8-3-2-6(4-7(8)10)15-9(5-11)12-13-14-15/h2-4H,5,11H2,1H3.
What are the key properties of [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine?
[1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine has a molecular weight of 239.67 g/mol, XLogP of 0.78, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloro-4-methoxyphenyl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 62737585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).