2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile

C15H10Cl2N6 — CID 11544727

IUPAC2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N6/c16-12-6-3-7-13(14(12)17)23-15(20-21-22-23)19-9-11-5-2-1-4-10(11)8-18/h1-7H,9H2,(H,19,20,22)
InChIKeyPMYRZDKDSIHDIU-UHFFFAOYSA-N
MW345.19 g/mol
LogP3.45
Rot. Bonds4

About 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile

2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile (PubChem CID 11544727) has the molecular formula C15H10Cl2N6 and a molecular weight of 345.19 g/mol. Its IUPAC name is 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
PubChem CID11544727
Molecular FormulaC15H10Cl2N6
Molecular Weight345.19 g/mol
Exact Mass344.03
IUPAC Name2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
SMILESN#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl
InChIInChI=1S/C15H10Cl2N6/c16-12-6-3-7-13(14(12)17)23-15(20-21-22-23)19-9-11-5-2-1-4-10(11)8-18/h1-7H,9H2,(H,19,20,22)
InChIKeyPMYRZDKDSIHDIU-UHFFFAOYSA-N
XLogP3.45
TPSA79.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile?
The IUPAC name of 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile (CID 11544727) is 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile.
What is the SMILES notation for 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile?
The canonical SMILES for 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile is N#Cc1ccccc1CNc1nnnn1-c1cccc(Cl)c1Cl.
What is the InChIKey of 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile?
The InChIKey is PMYRZDKDSIHDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2N6/c16-12-6-3-7-13(14(12)17)23-15(20-21-22-23)19-9-11-5-2-1-4-10(11)8-18/h1-7H,9H2,(H,19,20,22).
What are the key properties of 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile?
2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile has a molecular weight of 345.19 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[1-(2,3-dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile is sourced from PubChem (CID 11544727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).