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

C11H13N5 — CID 63090376

IUPAC4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
SMILESCNc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C11H13N5/c1-12-9-4-2-8(3-5-9)11-13-14-15-16(11)10-6-7-10/h2-5,10,12H,6-7H2,1H3
InChIKeyCQBHQRYOLVMPMK-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.72
Rot. Bonds3

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

4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline (PubChem CID 63090376) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline.

Molecular Properties

Compound Name4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
PubChem CID63090376
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline
SMILESCNc1ccc(-c2nnnn2C2CC2)cc1
InChIInChI=1S/C11H13N5/c1-12-9-4-2-8(3-5-9)11-13-14-15-16(11)10-6-7-10/h2-5,10,12H,6-7H2,1H3
InChIKeyCQBHQRYOLVMPMK-UHFFFAOYSA-N
XLogP1.72
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]propanamide
CID 60724572
(E)-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]but-2-enamide
CID 112725246
tert-butyl N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]carbamate
CID 65142786
N-[4-(1-piperidin-4-yltetrazol-5-yl)phenyl]acetamide
CID 84759253
4-(1-cyclopropyltetrazol-5-yl)-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47030233
(1R)-2,2-dichloro-N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-1-methylcyclopropane-1-carboxamide
CID 39974905
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 134028009
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]-4-iodobenzamide
CID 46548478
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-1-[(2R,6R)-2,6-dimethylpiperidin-1-yl]ethanone
CID 51934098
N-[4-(1-cyclopropyltetrazol-5-yl)phenyl]pyridine-2-carboxamide
CID 30701945
2-[4-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methylcyclohexyl)acetamide
CID 55565410
2-bromo-5-[1-(4-methylcyclohexyl)tetrazol-5-yl]aniline
CID 61376603

Frequently Asked Questions

What is the IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline?
The IUPAC name of 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline (CID 63090376) is 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline.
What is the SMILES notation for 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline?
The canonical SMILES for 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline is CNc1ccc(-c2nnnn2C2CC2)cc1.
What is the InChIKey of 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline?
The InChIKey is CQBHQRYOLVMPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c1-12-9-4-2-8(3-5-9)11-13-14-15-16(11)10-6-7-10/h2-5,10,12H,6-7H2,1H3.
What are the key properties of 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline?
4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline has a molecular weight of 215.26 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-cyclopropyltetrazol-5-yl)-N-methylaniline is sourced from PubChem (CID 63090376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).