1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine

C15H13Cl2N5 — CID 54583647

IUPAC1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
SMILESC[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2N5/c1-10(11-6-3-2-4-7-11)18-15-19-20-21-22(15)13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19,21)/t10-/m0/s1
InChIKeySMYQFPQUGLKPLF-JTQLQIEISA-N
MW334.21 g/mol
LogP4.14
Rot. Bonds4

About 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine

1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine (PubChem CID 54583647) has the molecular formula C15H13Cl2N5 and a molecular weight of 334.21 g/mol. Its IUPAC name is 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
PubChem CID54583647
Molecular FormulaC15H13Cl2N5
Molecular Weight334.21 g/mol
Exact Mass333.05
IUPAC Name1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine
SMILESC[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1
InChIInChI=1S/C15H13Cl2N5/c1-10(11-6-3-2-4-7-11)18-15-19-20-21-22(15)13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19,21)/t10-/m0/s1
InChIKeySMYQFPQUGLKPLF-JTQLQIEISA-N
XLogP4.14
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.21
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-N-[(2-chlorophenyl)methyl]-1-phenyl-1,2,4-triazole-3,5-diamine
CID 8071206
N-benzyl-1-(2,3-dichlorophenyl)tetrazol-5-amine
CID 11508020
1-(2,3-dichlorophenyl)-N-[(2-morpholin-4-ylphenyl)methyl]tetrazol-5-amine
CID 11509663
1-(2,3-dichlorophenyl)-N-[2-(methylthio)benzyl]-1H-tetrazol-5-amine
CID 11523472
1-(2,3-dichlorophenyl)-N-[(1R)-1-phenylethyl]tetrazol-5-amine
CID 11537311
2-[[[1-(2,3-Dichlorophenyl)tetrazol-5-yl]amino]methyl]benzonitrile
CID 11544727
1-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1H-tetraazol-5-amine
CID 11652890
1-(2,3-dichlorophenyl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]tetrazol-5-amine
CID 11709955
2-(2,3-dichlorophenyl)-N-[(2-methylphenyl)methyl]-1,2,4-triazol-3-amine
CID 44453839
N-benzyl-2-(2,3-dichlorophenyl)-1,2,4-triazol-3-amine
CID 44453843
2-(2,3-dichlorophenyl)-N-phenyl-1,2,4-triazol-3-amine
CID 44453893
1-(2,3-dichlorophenyl)-N-[2-(methylsulfonyl)benzyl]-1H-tetraazol-5-amine
CID 53249126

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine?
The IUPAC name of 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine (CID 54583647) is 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine.
What is the SMILES notation for 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine?
The canonical SMILES for 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine is C[C@H](Nc1nnnn1-c1cccc(Cl)c1Cl)c1ccccc1.
What is the InChIKey of 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine?
The InChIKey is SMYQFPQUGLKPLF-JTQLQIEISA-N. The full InChI is InChI=1S/C15H13Cl2N5/c1-10(11-6-3-2-4-7-11)18-15-19-20-21-22(15)13-9-5-8-12(16)14(13)17/h2-10H,1H3,(H,18,19,21)/t10-/m0/s1.
What are the key properties of 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine?
1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine has a molecular weight of 334.21 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dichlorophenyl)-N-[(1S)-1-phenylethyl]tetrazol-5-amine is sourced from PubChem (CID 54583647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).