N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline

C13H15N5 — CID 146144127

IUPACN-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
SMILESC1=C(CNc2ccccc2-n2cnnn2)CCC1
InChIInChI=1S/C13H15N5/c1-2-6-11(5-1)9-14-12-7-3-4-8-13(12)18-10-15-16-17-18/h3-5,7-8,10,14H,1-2,6,9H2
InChIKeySZQPPCOHFXHKJP-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.18
Rot. Bonds4

About N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline

N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline (PubChem CID 146144127) has the molecular formula C13H15N5 and a molecular weight of 241.30 g/mol. Its IUPAC name is N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline.

Molecular Properties

Compound NameN-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
PubChem CID146144127
Molecular FormulaC13H15N5
Molecular Weight241.30 g/mol
Exact Mass241.13
IUPAC NameN-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline
SMILESC1=C(CNc2ccccc2-n2cnnn2)CCC1
InChIInChI=1S/C13H15N5/c1-2-6-11(5-1)9-14-12-7-3-4-8-13(12)18-10-15-16-17-18/h3-5,7-8,10,14H,1-2,6,9H2
InChIKeySZQPPCOHFXHKJP-UHFFFAOYSA-N
XLogP2.18
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-cyclopentylpyrazol-3-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 167855564
N-[(1-methyltriazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62755418
N-(3-methylbutyl)-2-(tetrazol-1-yl)aniline
CID 43702180
N-[(4,5-dibromofuran-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 62085552
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 115749259
N-[(4-fluoro-2-methylphenyl)methyl]-2-(tetrazol-1-yl)aniline
CID 62135429
3-[[2-(tetrazol-1-yl)anilino]methyl]benzonitrile
CID 43702183
N-[2-(tetrazol-1-yl)phenyl]cyclooctanamine
CID 43702152
N-(3-methylsulfanylpropyl)-2-(tetrazol-1-yl)aniline
CID 43702070
[2-(tetrazol-1-yl)phenyl]thiourea
CID 169356429
N-[(1-propylpyrazol-4-yl)methyl]-2-(tetrazol-1-yl)aniline
CID 103825560
5-[[2-(tetrazol-1-yl)anilino]methyl]thiophene-3-carboxamide
CID 79611373

Frequently Asked Questions

What is the IUPAC name of N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline?
The IUPAC name of N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline (CID 146144127) is N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline.
What is the SMILES notation for N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline?
The canonical SMILES for N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline is C1=C(CNc2ccccc2-n2cnnn2)CCC1.
What is the InChIKey of N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline?
The InChIKey is SZQPPCOHFXHKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5/c1-2-6-11(5-1)9-14-12-7-3-4-8-13(12)18-10-15-16-17-18/h3-5,7-8,10,14H,1-2,6,9H2.
What are the key properties of N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline?
N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline has a molecular weight of 241.30 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopenten-1-ylmethyl)-2-(tetrazol-1-yl)aniline is sourced from PubChem (CID 146144127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).