2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline

C11H13N5O — CID 61376569

IUPAC2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CC2)c1
InChIInChI=1S/C11H13N5O/c1-17-8-4-5-10(12)9(6-8)11-13-14-15-16(11)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKeyACMDVELRHYKUCY-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.27
Rot. Bonds3

About 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline

2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline (PubChem CID 61376569) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
PubChem CID61376569
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline
SMILESCOc1ccc(N)c(-c2nnnn2C2CC2)c1
InChIInChI=1S/C11H13N5O/c1-17-8-4-5-10(12)9(6-8)11-13-14-15-16(11)7-2-3-7/h4-7H,2-3,12H2,1H3
InChIKeyACMDVELRHYKUCY-UHFFFAOYSA-N
XLogP1.27
TPSA78.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-cycloheptyltetrazol-5-yl)-4-methoxyaniline
CID 61354470
2-(1-cyclohexyltetrazol-5-yl)-4-methoxyaniline
CID 61376382
4-methoxy-2-[1-(oxolan-3-yl)tetrazol-5-yl]aniline
CID 80714836
2-(1-cyclobutyltetrazol-5-yl)-4-methylaniline
CID 65454710
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-4-methoxyaniline
CID 113305107
4-methoxy-2-[1-(3-methylpentan-2-yl)tetrazol-5-yl]aniline
CID 61464186
4-methoxy-2-[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]aniline
CID 79779039
4-methoxy-2-[1-(3-propoxypropyl)tetrazol-5-yl]aniline
CID 82940112
2-[1-(2-methoxycyclopentyl)tetrazol-5-yl]-4-methylaniline
CID 65454333
4-methoxy-3-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550866
4-chloro-2-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]aniline
CID 64733879
4-methoxy-2-[1-(5-methylhexyl)tetrazol-5-yl]aniline
CID 115326829

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline (CID 61376569) is 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline is COc1ccc(N)c(-c2nnnn2C2CC2)c1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline?
The InChIKey is ACMDVELRHYKUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-8-4-5-10(12)9(6-8)11-13-14-15-16(11)7-2-3-7/h4-7H,2-3,12H2,1H3.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline?
2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline has a molecular weight of 231.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)-4-methoxyaniline is sourced from PubChem (CID 61376569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).