4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole

C10H14Br3ClN6 — CID 159227463

IUPAC4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole
SMILESCCCn1nc(Br)c(Br)n1.CCCn1nc(Cl)c(Br)n1
InChIInChI=1S/C5H7Br2N3.C5H7BrClN3/c2*1-2-3-10-8-4(6)5(7)9-10/h2*2-3H2,1H3
InChIKeyKSLXKLXZEZQZRN-UHFFFAOYSA-N
MW493.43 g/mol
LogP4.32
Rot. Bonds4

About 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole

4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole (PubChem CID 159227463) has the molecular formula C10H14Br3ClN6 and a molecular weight of 493.43 g/mol. Its IUPAC name is 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole.

Molecular Properties

Compound Name4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole
PubChem CID159227463
Molecular FormulaC10H14Br3ClN6
Molecular Weight493.43 g/mol
Exact Mass489.85
IUPAC Name4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole
SMILESCCCn1nc(Br)c(Br)n1.CCCn1nc(Cl)c(Br)n1
InChIInChI=1S/C5H7Br2N3.C5H7BrClN3/c2*1-2-3-10-8-4(6)5(7)9-10/h2*2-3H2,1H3
InChIKeyKSLXKLXZEZQZRN-UHFFFAOYSA-N
XLogP4.32
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.43
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(4-bromo-5-chlorotriazol-2-yl)methyl]phenol
CID 141305587
5-bromo-4-chloro-1-propylpyrazole
CID 164664603
4,5-dibromo-1-propyltriazole
CID 69386726
3,5-dibromo-1-propyl-1,2,4-triazole
CID 75357833
2-(2-propyltetrazol-5-yl)ethanesulfonyl chloride
CID 84799367
3-(4-bromo-3-chlorophenyl)-4-propyl-1,2,4-triazole
CID 115395002
CID 168792952
CID 168792952
2-(4-chlorophenyl)sulfanyl-N-(2-propyltetrazol-5-yl)acetamide
CID 959578
5-bromo-4-chloro-6-methyl-2-(3-propylimidazol-4-yl)pyrimidine
CID 66314171
3-bromo-5-chloro-1-methylpyrazol-4-amine
CID 84677979
4-bromo-5-ethyl-2-methyltriazole
CID 175500101
propane;1-(2-propyltetrazol-5-yl)propan-1-ol
CID 145288431

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole?
The IUPAC name of 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole (CID 159227463) is 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole.
What is the SMILES notation for 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole?
The canonical SMILES for 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole is CCCn1nc(Br)c(Br)n1.CCCn1nc(Cl)c(Br)n1.
What is the InChIKey of 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole?
The InChIKey is KSLXKLXZEZQZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br2N3.C5H7BrClN3/c2*1-2-3-10-8-4(6)5(7)9-10/h2*2-3H2,1H3.
What are the key properties of 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole?
4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole has a molecular weight of 493.43 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-2-propyltriazole;4,5-dibromo-2-propyltriazole is sourced from PubChem (CID 159227463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).