4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline

C13H17N5 — CID 61376822

IUPAC4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2C(C)C2CC2)ccc1N
InChIInChI=1S/C13H17N5/c1-8-7-11(5-6-12(8)14)13-15-16-17-18(13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3
InChIKeyVVQRRCQBRVMYTH-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.20
Rot. Bonds3

About 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline

4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline (PubChem CID 61376822) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline.

Molecular Properties

Compound Name4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
PubChem CID61376822
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline
SMILESCc1cc(-c2nnnn2C(C)C2CC2)ccc1N
InChIInChI=1S/C13H17N5/c1-8-7-11(5-6-12(8)14)13-15-16-17-18(13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3
InChIKeyVVQRRCQBRVMYTH-UHFFFAOYSA-N
XLogP2.20
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-4-(1-propan-2-yltetrazol-5-yl)aniline
CID 61352852
2-methyl-4-[1-(1-phenylethyl)tetrazol-5-yl]aniline
CID 61354476
2,3-dichloro-5-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61377975
4-(1-propan-2-yltetrazol-5-yl)benzene-1,2-diamine
CID 12919379
5-[1-(1-cyclopentylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706366
5-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2,4-dimethylaniline
CID 102706416
3-chloro-4-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61376821
3-[1-(1-cyclohexylethyl)tetrazol-5-yl]-4-methylaniline
CID 62406509
2-methyl-4-[1-(1-methylcyclopropyl)tetrazol-5-yl]aniline
CID 113485907
4-[1-(3,5-dimethylcyclohexyl)tetrazol-5-yl]-2-methylaniline
CID 64733099
5-bromo-3-[1-(1-cyclobutylethyl)tetrazol-5-yl]-2-methylaniline
CID 107874058
2-methyl-4-[1-(1-methylcyclopentyl)tetrazol-5-yl]aniline
CID 64687835

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline?
The IUPAC name of 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline (CID 61376822) is 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline.
What is the SMILES notation for 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline?
The canonical SMILES for 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline is Cc1cc(-c2nnnn2C(C)C2CC2)ccc1N.
What is the InChIKey of 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline?
The InChIKey is VVQRRCQBRVMYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-7-11(5-6-12(8)14)13-15-16-17-18(13)9(2)10-3-4-10/h5-7,9-10H,3-4,14H2,1-2H3.
What are the key properties of 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline?
4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline has a molecular weight of 243.31 g/mol, XLogP of 2.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1-cyclopropylethyl)tetrazol-5-yl]-2-methylaniline is sourced from PubChem (CID 61376822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).