4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline

C11H15N5 — CID 65455458

IUPAC4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCc1ccc(N)c(-c2nnnn2C(C)C)c1
InChIInChI=1S/C11H15N5/c1-7(2)16-11(13-14-15-16)9-6-8(3)4-5-10(9)12/h4-7H,12H2,1-3H3
InChIKeyNNKXROBVNIIFPY-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.81
Rot. Bonds2

About 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline

4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline (PubChem CID 65455458) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline.

Molecular Properties

Compound Name4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
PubChem CID65455458
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline
SMILESCc1ccc(N)c(-c2nnnn2C(C)C)c1
InChIInChI=1S/C11H15N5/c1-7(2)16-11(13-14-15-16)9-6-8(3)4-5-10(9)12/h4-7H,12H2,1-3H3
InChIKeyNNKXROBVNIIFPY-UHFFFAOYSA-N
XLogP1.81
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.81
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 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The IUPAC name of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline (CID 65455458) is 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline.
What is the SMILES notation for 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The canonical SMILES for 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline is Cc1ccc(N)c(-c2nnnn2C(C)C)c1.
What is the InChIKey of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
The InChIKey is NNKXROBVNIIFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-7(2)16-11(13-14-15-16)9-6-8(3)4-5-10(9)12/h4-7H,12H2,1-3H3.
What are the key properties of 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline?
4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline has a molecular weight of 217.28 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(1-propan-2-yltetrazol-5-yl)aniline is sourced from PubChem (CID 65455458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).