2-(1-cyclopropyltetrazol-5-yl)aniline

C10H11N5 — CID 28818926

IUPAC2-(1-cyclopropyltetrazol-5-yl)aniline
SMILESNc1ccccc1-c1nnnn1C1CC1
InChIInChI=1S/C10H11N5/c11-9-4-2-1-3-8(9)10-12-13-14-15(10)7-5-6-7/h1-4,7H,5-6,11H2
InChIKeyKPMYWDAILDYYPN-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.26
Rot. Bonds2

About 2-(1-cyclopropyltetrazol-5-yl)aniline

2-(1-cyclopropyltetrazol-5-yl)aniline (PubChem CID 28818926) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is 2-(1-cyclopropyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2-(1-cyclopropyltetrazol-5-yl)aniline
PubChem CID28818926
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC Name2-(1-cyclopropyltetrazol-5-yl)aniline
SMILESNc1ccccc1-c1nnnn1C1CC1
InChIInChI=1S/C10H11N5/c11-9-4-2-1-3-8(9)10-12-13-14-15(10)7-5-6-7/h1-4,7H,5-6,11H2
InChIKeyKPMYWDAILDYYPN-UHFFFAOYSA-N
XLogP1.26
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)aniline?
The IUPAC name of 2-(1-cyclopropyltetrazol-5-yl)aniline (CID 28818926) is 2-(1-cyclopropyltetrazol-5-yl)aniline.
What is the SMILES notation for 2-(1-cyclopropyltetrazol-5-yl)aniline?
The canonical SMILES for 2-(1-cyclopropyltetrazol-5-yl)aniline is Nc1ccccc1-c1nnnn1C1CC1.
What is the InChIKey of 2-(1-cyclopropyltetrazol-5-yl)aniline?
The InChIKey is KPMYWDAILDYYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5/c11-9-4-2-1-3-8(9)10-12-13-14-15(10)7-5-6-7/h1-4,7H,5-6,11H2.
What are the key properties of 2-(1-cyclopropyltetrazol-5-yl)aniline?
2-(1-cyclopropyltetrazol-5-yl)aniline has a molecular weight of 201.23 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropyltetrazol-5-yl)aniline is sourced from PubChem (CID 28818926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).