4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline

C11H13N5 — CID 62077006

IUPAC4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-n1nnnc1C1CC1
InChIInChI=1S/C11H13N5/c1-7-6-9(12)4-5-10(7)16-11(8-2-3-8)13-14-15-16/h4-6,8H,2-3,12H2,1H3
InChIKeyLNJSKCHSQHJPEZ-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.43
Rot. Bonds2

About 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline

4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline (PubChem CID 62077006) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline.

Molecular Properties

Compound Name4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline
PubChem CID62077006
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline
SMILESCc1cc(N)ccc1-n1nnnc1C1CC1
InChIInChI=1S/C11H13N5/c1-7-6-9(12)4-5-10(7)16-11(8-2-3-8)13-14-15-16/h4-6,8H,2-3,12H2,1H3
InChIKeyLNJSKCHSQHJPEZ-UHFFFAOYSA-N
XLogP1.43
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.43
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

3-methyl-4-(5-methyltetrazol-1-yl)aniline
CID 3186687
5-amino-2-(5-cyclopentyltetrazol-1-yl)benzonitrile
CID 62077370
5-amino-N-[3-(5-cyclopropyltetrazol-1-yl)-4-methoxyphenyl]-2-methylbenzamide
CID 120637506
5-chloro-2-(5-cyclopentyltetrazol-1-yl)aniline
CID 62076355
3-[1-(4-bromo-2-methylphenyl)tetrazol-5-yl]-4-methylaniline
CID 61353886
5-bromo-3-(5-cyclopropyltetrazol-1-yl)pyridin-2-amine
CID 118180428
5-cyclopropyl-1-(2-iodophenyl)tetrazole
CID 62075844
4-chloro-2-(5-cyclohexyltetrazol-1-yl)aniline
CID 62076027
4-methyl-3-[1-(2-methylphenyl)tetrazol-5-yl]aniline
CID 61376415
4-chloro-3-[1-(4-chloro-2-methylphenyl)tetrazol-5-yl]aniline
CID 61352885
4-(5-cyclopropyltetrazol-1-yl)-2-(trifluoromethyl)aniline
CID 55034010
5-cyclohexyl-1-(4-fluoro-2-iodophenyl)tetrazole
CID 79766240

Frequently Asked Questions

What is the IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline?
The IUPAC name of 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline (CID 62077006) is 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline.
What is the SMILES notation for 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline?
The canonical SMILES for 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline is Cc1cc(N)ccc1-n1nnnc1C1CC1.
What is the InChIKey of 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline?
The InChIKey is LNJSKCHSQHJPEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-7-6-9(12)4-5-10(7)16-11(8-2-3-8)13-14-15-16/h4-6,8H,2-3,12H2,1H3.
What are the key properties of 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline?
4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline has a molecular weight of 215.26 g/mol, XLogP of 1.43, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-cyclopropyltetrazol-1-yl)-3-methylaniline is sourced from PubChem (CID 62077006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).