N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline

C12H15N5 — CID 43732101

IUPACN-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2nn[nH]n2)c1)C1CC1
InChIInChI=1S/C12H15N5/c1-8(9-5-6-9)13-11-4-2-3-10(7-11)12-14-16-17-15-12/h2-4,7-9,13H,5-6H2,1H3,(H,14,15,16,17)
InChIKeySSFCOMXYDXKLEQ-UHFFFAOYSA-N
MW229.29 g/mol
LogP2.08
Rot. Bonds4

About N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline

N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline (PubChem CID 43732101) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline
PubChem CID43732101
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC NameN-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline
SMILESCC(Nc1cccc(-c2nn[nH]n2)c1)C1CC1
InChIInChI=1S/C12H15N5/c1-8(9-5-6-9)13-11-4-2-3-10(7-11)12-14-16-17-15-12/h2-4,7-9,13H,5-6H2,1H3,(H,14,15,16,17)
InChIKeySSFCOMXYDXKLEQ-UHFFFAOYSA-N
XLogP2.08
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-[3-(2H-tetrazol-5-yl)anilino]butan-2-ol
CID 65338140
N-[1-(1H-pyrazol-5-yl)ethyl]-3-(2H-tetrazol-5-yl)aniline
CID 54881777
N-[3-(2H-tetrazol-5-yl)phenyl]cyclooctanamine
CID 43732033
N-(1-cyclopropylethyl)-3-(2-methyl-1,3-thiazol-4-yl)aniline
CID 43714323
N-(2,3-dimethylcyclohexyl)-3-(2H-tetrazol-5-yl)aniline
CID 64762447
N-(2,2-dimethylcyclopentyl)-3-(2H-tetrazol-5-yl)aniline
CID 79859855
2-(methylamino)-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 62639485
3-amino-2-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]propanamide
CID 55104793
1-methyl-N-[3-(2H-tetrazol-5-yl)phenyl]azepan-4-amine
CID 65070524
N-(1-cyclopropylethyl)-3-ethylaniline
CID 43196050
2,2-dimethyl-3-[3-(2H-tetrazol-5-yl)anilino]cyclobutan-1-ol
CID 112633643
2,2,5,5-tetramethyl-N-[3-(2H-tetrazol-5-yl)phenyl]oxolan-3-amine
CID 79912143

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline?
The IUPAC name of N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline (CID 43732101) is N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline.
What is the SMILES notation for N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline?
The canonical SMILES for N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline is CC(Nc1cccc(-c2nn[nH]n2)c1)C1CC1.
What is the InChIKey of N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline?
The InChIKey is SSFCOMXYDXKLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8(9-5-6-9)13-11-4-2-3-10(7-11)12-14-16-17-15-12/h2-4,7-9,13H,5-6H2,1H3,(H,14,15,16,17).
What are the key properties of N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline?
N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline has a molecular weight of 229.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-3-(2H-tetrazol-5-yl)aniline is sourced from PubChem (CID 43732101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).