2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline

C12H15N5 — CID 113485907

IUPAC2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cc(-c2nnnn2C2(C)CC2)ccc1N
InChIInChI=1S/C12H15N5/c1-8-7-9(3-4-10(8)13)11-14-15-16-17(11)12(2)5-6-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZFZLCIZWQXNTDM-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.74
Rot. Bonds2

About 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline

2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline (PubChem CID 113485907) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline.

Molecular Properties

Compound Name2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
PubChem CID113485907
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
SMILESCc1cc(-c2nnnn2C2(C)CC2)ccc1N
InChIInChI=1S/C12H15N5/c1-8-7-9(3-4-10(8)13)11-14-15-16-17(11)12(2)5-6-12/h3-4,7H,5-6,13H2,1-2H3
InChIKeyZFZLCIZWQXNTDM-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-methyl-4-[1-(1-methylcyclopentyl)tetrazol-5-yl]aniline
CID 64687835
2-methyl-5-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485905
3-chloro-5-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485922
2-methyl-4-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352852
2-methyl-6-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485909
2-methyl-4-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61378361
4-methyl-2-[1-(1-methylcyclohexyl)tetrazol-5-yl]aniline
CID 65454143
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
CID 61376822
4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 64733099
4-[1-(3-fluoro-4-methylphenyl)tetrazol-5-yl]-2-methylaniline
CID 61377538
4-[1-(2,5-dibromophenyl)tetrazol-5-yl]-2-methylaniline
CID 61469848
4-[1-[(3-methoxyoxolan-3-yl)methyl]tetrazol-5-yl]-2-methylaniline
CID 104765216

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The IUPAC name of 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline (CID 113485907) is 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline.
What is the SMILES notation for 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The canonical SMILES for 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline is Cc1cc(-c2nnnn2C2(C)CC2)ccc1N.
What is the InChIKey of 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
The InChIKey is ZFZLCIZWQXNTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-7-9(3-4-10(8)13)11-14-15-16-17(11)12(2)5-6-12/h3-4,7H,5-6,13H2,1-2H3.
What are the key properties of 2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline?
2-methyl-4-[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-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline is sourced from PubChem (CID 113485907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).