2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline

C12H15N5 — CID 113485909

IUPAC2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-c2nnnn2C2(C)CC2)c1N
InChIInChI=1S/C12H15N5/c1-8-4-3-5-9(10(8)13)11-14-15-16-17(11)12(2)6-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyLEIWFPOFHZVMNQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline

2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline (PubChem CID 113485909) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
PubChem CID113485909
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cccc(-c2nnnn2C2(C)CC2)c1N
InChIInChI=1S/C12H15N5/c1-8-4-3-5-9(10(8)13)11-14-15-16-17(11)12(2)6-7-12/h3-5H,6-7,13H2,1-2H3
InChIKeyLEIWFPOFHZVMNQ-UHFFFAOYSA-N
XLogP1.74
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(1-Cyclopropyl-1H-tetrazol-5-yl)benzenamine
CID 28818926
5-phenyl-1-tert-butyl-1H-tetrazole
CID 10899692
3-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 16227503
4-(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)aniline
CID 17511960
1-[1-(2-ethyl-6-methylphenyl)-1H-tetrazol-5-yl]cyclopentanamine
CID 3378751
5-Phenyl-1-prop-1-en-2-yltetrazole
CID 134890752
2-[1-(3,3,3-Trifluoropropyl)tetrazol-5-yl]aniline
CID 55175336
2-[1-(3-Fluorophenyl)tetrazol-5-yl]-6-methylaniline
CID 61351650
2-[1-(Cyclopropylmethyl)tetrazol-5-yl]-4-fluoroaniline
CID 61351666
4-Fluoro-2-(1-propan-2-yltetrazol-5-yl)aniline
CID 61351865
5-(1-Tert-butyltetrazol-5-yl)-2-fluoroaniline
CID 61352053
3-(1-Tert-butyltetrazol-5-yl)-4-fluoroaniline
CID 61352054

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline (CID 113485909) is 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline is Cc1cccc(-c2nnnn2C2(C)CC2)c1N.
What is the InChIKey of 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The InChIKey is LEIWFPOFHZVMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-4-3-5-9(10(8)13)11-14-15-16-17(11)12(2)6-7-12/h3-5H,6-7,13H2,1-2H3.
What are the key properties of 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline has a molecular weight of 229.29 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 113485909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).