1,5-bis(trichloromethyl)tetrazole

C3Cl6N4 — CID 87665440

IUPAC1,5-bis(trichloromethyl)tetrazole
SMILESClC(Cl)(Cl)c1nnnn1C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6N4/c4-2(5,6)1-10-11-12-13(1)3(7,8)9
InChIKeyYZISISMQRKKKKX-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.78
Rot. Bonds

About 1,5-bis(trichloromethyl)tetrazole

1,5-bis(trichloromethyl)tetrazole (PubChem CID 87665440) has the molecular formula C3Cl6N4 and a molecular weight of 304.78 g/mol. Its IUPAC name is 1,5-bis(trichloromethyl)tetrazole.

Molecular Properties

Compound Name1,5-bis(trichloromethyl)tetrazole
PubChem CID87665440
Molecular FormulaC3Cl6N4
Molecular Weight304.78 g/mol
Exact Mass301.83
IUPAC Name1,5-bis(trichloromethyl)tetrazole
SMILESClC(Cl)(Cl)c1nnnn1C(Cl)(Cl)Cl
InChIInChI=1S/C3Cl6N4/c4-2(5,6)1-10-11-12-13(1)3(7,8)9
InChIKeyYZISISMQRKKKKX-UHFFFAOYSA-N
XLogP2.78
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-phenyl-5-(trichloromethyl)tetrazole
CID 69031476
1-(2-methylpropyl)-5-(trichloromethyl)tetrazole
CID 69030908
1-(1,1,2,2,2-pentachloroethyl)-5-(1,1,2,2,2-pentafluoroethyl)tetrazole
CID 87664496
1-benzyl-5-(trichloromethyl)tetrazole
CID 69032127
1-(1,1,2,2,2-pentafluoroethyl)-5-(trifluoromethyl)tetrazole
CID 87665075
5-tert-butyl-1-(2-methylbutan-2-yl)tetrazole
CID 134576797
1-(2-chlorophenyl)-5-[dichloro-[1-(2-chlorophenyl)tetrazol-5-yl]methyl]tetrazole
CID 5340220
2-methyl-2-[5-(1,1,2,2-tetrafluoroethyl)tetrazol-1-yl]propanoic acid
CID 79660294
5-(tribromomethyl)-1-(2,4,6-trichlorophenyl)tetrazole
CID 57289897
4-(1-tert-butyltetrazol-5-yl)-3-chloroaniline
CID 61351469
1-(1,1,1-trifluoro-2-methylpropan-2-yl)tetrazol-5-amine
CID 130933772
CID 59716318
CID 59716318

Frequently Asked Questions

What is the IUPAC name of 1,5-bis(trichloromethyl)tetrazole?
The IUPAC name of 1,5-bis(trichloromethyl)tetrazole (CID 87665440) is 1,5-bis(trichloromethyl)tetrazole.
What is the SMILES notation for 1,5-bis(trichloromethyl)tetrazole?
The canonical SMILES for 1,5-bis(trichloromethyl)tetrazole is ClC(Cl)(Cl)c1nnnn1C(Cl)(Cl)Cl.
What is the InChIKey of 1,5-bis(trichloromethyl)tetrazole?
The InChIKey is YZISISMQRKKKKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3Cl6N4/c4-2(5,6)1-10-11-12-13(1)3(7,8)9.
What are the key properties of 1,5-bis(trichloromethyl)tetrazole?
1,5-bis(trichloromethyl)tetrazole has a molecular weight of 304.78 g/mol, XLogP of 2.78, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(trichloromethyl)tetrazole is sourced from PubChem (CID 87665440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).