2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline

C14H17Cl2N5 — CID 61354472

IUPAC2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
SMILESNc1cc(-c2nnnn2C2CCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N5/c15-11-7-9(8-12(17)13(11)16)14-18-19-20-21(14)10-5-3-1-2-4-6-10/h7-8,10H,1-6,17H2
InChIKeyGJKHPGVPLQJIAN-UHFFFAOYSA-N
MW326.23 g/mol
LogP4.12
Rot. Bonds2

About 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline

2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline (PubChem CID 61354472) has the molecular formula C14H17Cl2N5 and a molecular weight of 326.23 g/mol. Its IUPAC name is 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline.

Molecular Properties

Compound Name2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
PubChem CID61354472
Molecular FormulaC14H17Cl2N5
Molecular Weight326.23 g/mol
Exact Mass325.09
IUPAC Name2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline
SMILESNc1cc(-c2nnnn2C2CCCCCC2)cc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N5/c15-11-7-9(8-12(17)13(11)16)14-18-19-20-21(14)10-5-3-1-2-4-6-10/h7-8,10H,1-6,17H2
InChIKeyGJKHPGVPLQJIAN-UHFFFAOYSA-N
XLogP4.12
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 54.12
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-chloro-4-(1-cyclooctyltetrazol-5-yl)aniline
CID 82779718
4-(1-cycloheptyltetrazol-5-yl)-2-fluoroaniline
CID 62680823
3-(1-cyclohexyltetrazol-5-yl)aniline
CID 61351420
4-chloro-3-(1-cyclopentyltetrazol-5-yl)aniline
CID 61378718
2,3-dichloro-5-[1-(1-cyclopropylethyl)tetrazol-5-yl]aniline
CID 61377975
2,3-dichloro-5-[1-(3-ethylpentan-3-yl)tetrazol-5-yl]aniline
CID 65038548
2-chloro-4-[1-(3-methylcyclopentyl)tetrazol-5-yl]aniline
CID 114550889
3-(1-cyclopentyltetrazol-5-yl)-5-ethoxyaniline
CID 81092076
3,4-dichloro-5-[1-(3-methylcyclobutyl)tetrazol-5-yl]aniline
CID 107199675
5-(1-cyclobutyltetrazol-5-yl)-2-ethoxyaniline
CID 62415801
3-(1-cycloheptyltetrazol-5-yl)-2-methylaniline
CID 61354468
3-(1-cyclooctyltetrazol-5-yl)-4-methylaniline
CID 61353650

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline?
The IUPAC name of 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline (CID 61354472) is 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline.
What is the SMILES notation for 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline?
The canonical SMILES for 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline is Nc1cc(-c2nnnn2C2CCCCCC2)cc(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline?
The InChIKey is GJKHPGVPLQJIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N5/c15-11-7-9(8-12(17)13(11)16)14-18-19-20-21(14)10-5-3-1-2-4-6-10/h7-8,10H,1-6,17H2.
What are the key properties of 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline?
2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline has a molecular weight of 326.23 g/mol, XLogP of 4.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-(1-cycloheptyltetrazol-5-yl)aniline is sourced from PubChem (CID 61354472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).