[4-(1-methyltetrazol-5-yl)phenyl]methanamine

C9H11N5 — CID 82228462

IUPAC[4-(1-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C9H11N5/c1-14-9(11-12-13-14)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
InChIKeyDOIDDARYXDRYFP-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.34
Rot. Bonds2

About [4-(1-methyltetrazol-5-yl)phenyl]methanamine

[4-(1-methyltetrazol-5-yl)phenyl]methanamine (PubChem CID 82228462) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is [4-(1-methyltetrazol-5-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(1-methyltetrazol-5-yl)phenyl]methanamine
PubChem CID82228462
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name[4-(1-methyltetrazol-5-yl)phenyl]methanamine
SMILESCn1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C9H11N5/c1-14-9(11-12-13-14)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3
InChIKeyDOIDDARYXDRYFP-UHFFFAOYSA-N
XLogP0.34
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(1-methyltetrazol-5-yl)phenyl]methanol
CID 84771469
2-methyl-1-[4-(1-methyltetrazol-5-yl)phenyl]propan-2-amine
CID 84794678
[4-(1-butyltetrazol-5-yl)phenyl]methanamine
CID 82228437
2-amino-1-[4-(1-methyltetrazol-5-yl)phenyl]ethanone
CID 84785195
3-[5-[4-(aminomethyl)phenyl]tetrazol-1-yl]-N,N-diethylpropan-1-amine
CID 82228458
[4-(1-benzyltetrazol-5-yl)phenyl]methanamine
CID 82228443
[4-(2,5-dimethyl-1,2,4-triazol-3-yl)phenyl]methanamine
CID 62696261
[4-[1-(4-chlorophenyl)tetrazol-5-yl]phenyl]methanamine
CID 82228170
1-methyl-5-(3-methylphenyl)tetrazole
CID 23384026
N-[4-(aminomethyl)phenyl]-N,1-dimethyltetrazol-5-amine
CID 63152218
N-[(4-methylphenyl)methyl]-3-(1-methyltetrazol-5-yl)aniline
CID 43687122
[4-(5-bromo-3-methyltriazol-4-yl)phenyl]methanamine
CID 106463197

Frequently Asked Questions

What is the IUPAC name of [4-(1-methyltetrazol-5-yl)phenyl]methanamine?
The IUPAC name of [4-(1-methyltetrazol-5-yl)phenyl]methanamine (CID 82228462) is [4-(1-methyltetrazol-5-yl)phenyl]methanamine.
What is the SMILES notation for [4-(1-methyltetrazol-5-yl)phenyl]methanamine?
The canonical SMILES for [4-(1-methyltetrazol-5-yl)phenyl]methanamine is Cn1nnnc1-c1ccc(CN)cc1.
What is the InChIKey of [4-(1-methyltetrazol-5-yl)phenyl]methanamine?
The InChIKey is DOIDDARYXDRYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-14-9(11-12-13-14)8-4-2-7(6-10)3-5-8/h2-5H,6,10H2,1H3.
What are the key properties of [4-(1-methyltetrazol-5-yl)phenyl]methanamine?
[4-(1-methyltetrazol-5-yl)phenyl]methanamine has a molecular weight of 189.22 g/mol, XLogP of 0.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-methyltetrazol-5-yl)phenyl]methanamine is sourced from PubChem (CID 82228462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).