[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine

C15H14N6O2 — CID 94971674

IUPAC[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine
SMILESCc1ccc([N+](=O)[O-])cc1-n1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C15H14N6O2/c1-10-2-7-13(21(22)23)8-14(10)20-15(17-18-19-20)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3
InChIKeyHHUVETWNFYNYTE-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.00
Rot. Bonds4

About [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine

[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine (PubChem CID 94971674) has the molecular formula C15H14N6O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine
PubChem CID94971674
Molecular FormulaC15H14N6O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine
SMILESCc1ccc([N+](=O)[O-])cc1-n1nnnc1-c1ccc(CN)cc1
InChIInChI=1S/C15H14N6O2/c1-10-2-7-13(21(22)23)8-14(10)20-15(17-18-19-20)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3
InChIKeyHHUVETWNFYNYTE-UHFFFAOYSA-N
XLogP2.00
TPSA112.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine?
The IUPAC name of [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine (CID 94971674) is [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine?
The canonical SMILES for [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine is Cc1ccc([N+](=O)[O-])cc1-n1nnnc1-c1ccc(CN)cc1.
What is the InChIKey of [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine?
The InChIKey is HHUVETWNFYNYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O2/c1-10-2-7-13(21(22)23)8-14(10)20-15(17-18-19-20)12-5-3-11(9-16)4-6-12/h2-8H,9,16H2,1H3.
What are the key properties of [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine?
[4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine has a molecular weight of 310.32 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(2-methyl-5-nitrophenyl)tetrazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 94971674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).