5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole

C13H14ClN7 — CID 141120723

IUPAC5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole
SMILESCC(Cc1nncn1C)n1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN7/c1-9(6-12-16-15-8-20(12)2)21-18-13(17-19-21)10-4-3-5-11(14)7-10/h3-5,7-9H,6H2,1-2H3
InChIKeyCTXNOYKUNVDRIX-UHFFFAOYSA-N
MW303.76 g/mol
LogP1.93
Rot. Bonds4

About 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole

5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole (PubChem CID 141120723) has the molecular formula C13H14ClN7 and a molecular weight of 303.76 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole
PubChem CID141120723
Molecular FormulaC13H14ClN7
Molecular Weight303.76 g/mol
Exact Mass303.10
IUPAC Name5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole
SMILESCC(Cc1nncn1C)n1nnc(-c2cccc(Cl)c2)n1
InChIInChI=1S/C13H14ClN7/c1-9(6-12-16-15-8-20(12)2)21-18-13(17-19-21)10-4-3-5-11(14)7-10/h3-5,7-9H,6H2,1-2H3
InChIKeyCTXNOYKUNVDRIX-UHFFFAOYSA-N
XLogP1.93
TPSA74.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.76
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(3-chlorophenyl)-4-methyl-1,2,4-triazole
CID 79002375
(2S)-N-(4-bromophenyl)-2-[5-(3-chlorophenyl)tetrazol-2-yl]propanamide
CID 9355609
2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-(3,5-dichloro-2-pyridinyl)propanamide
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2-[5-(3-chlorophenyl)tetrazol-2-yl]-N-[(1R)-1-phenylethyl]acetamide
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CID 7490582
3-(3-chlorophenyl)-4-(2-methylpropyl)-1,2,4-triazole
CID 115395591
CID 166557762
CID 166557762
3-[(2S)-1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]aniline
CID 139350886
5-(3-chlorophenyl)-2-[(2-methylphenyl)methyl]tetrazole
CID 7490709
1-butyl-5-[[5-(3-chlorophenyl)tetrazol-2-yl]methyl]tetrazole
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1-[2-[5-(3-chlorophenyl)tetrazol-2-yl]ethyl]pyrrolidine-2,5-dione
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CID 18171624

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole?
The IUPAC name of 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole (CID 141120723) is 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole.
What is the SMILES notation for 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole?
The canonical SMILES for 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole is CC(Cc1nncn1C)n1nnc(-c2cccc(Cl)c2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole?
The InChIKey is CTXNOYKUNVDRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN7/c1-9(6-12-16-15-8-20(12)2)21-18-13(17-19-21)10-4-3-5-11(14)7-10/h3-5,7-9H,6H2,1-2H3.
What are the key properties of 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole?
5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole has a molecular weight of 303.76 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-2-[1-(4-methyl-1,2,4-triazol-3-yl)propan-2-yl]tetrazole is sourced from PubChem (CID 141120723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).