2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine

C15H18ClN3 — CID 139499873

IUPAC2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine
SMILESCCCCC(C)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3/c1-3-4-8-11(2)13-17-14(19-15(16)18-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyCXRDHZARDHYFCS-UHFFFAOYSA-N
MW275.78 g/mol
LogP4.49
Rot. Bonds5

About 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine

2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine (PubChem CID 139499873) has the molecular formula C15H18ClN3 and a molecular weight of 275.78 g/mol. Its IUPAC name is 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine
PubChem CID139499873
Molecular FormulaC15H18ClN3
Molecular Weight275.78 g/mol
Exact Mass275.12
IUPAC Name2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine
SMILESCCCCC(C)c1nc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C15H18ClN3/c1-3-4-8-11(2)13-17-14(19-15(16)18-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3
InChIKeyCXRDHZARDHYFCS-UHFFFAOYSA-N
XLogP4.49
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.78
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-butan-2-yl-4,6-diphenyl-1,3,5-triazine
CID 23399466
2-chloro-4-[(3R)-pent-1-en-3-yl]-6-phenyl-1,3,5-triazine
CID 167138516
2-chloro-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 22476006
1-hexan-2-yl-4-phenylbenzene
CID 57161678
5-hexan-2-yl-4-phenyl-1H-pyrazol-3-amine
CID 114246456
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
4,6-dichloro-2-phenyl-5-propylpyrimidine
CID 46705663
3-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]hexoxy]phenol
CID 137375454
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
4-chloro-6-hexyl-5-pentyl-2-phenylpyrimidine
CID 10712514
2-chloro-4-phenyl-6-(4-pyridin-4-ylphenyl)-1,3,5-triazine
CID 142751330
2-chloro-4-phenyl-6-[4-(4-phenylnaphthalen-1-yl)phenyl]-1,3,5-triazine
CID 171439560

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine (CID 139499873) is 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine is CCCCC(C)c1nc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine?
The InChIKey is CXRDHZARDHYFCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3/c1-3-4-8-11(2)13-17-14(19-15(16)18-13)12-9-6-5-7-10-12/h5-7,9-11H,3-4,8H2,1-2H3.
What are the key properties of 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine?
2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine has a molecular weight of 275.78 g/mol, XLogP of 4.49, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 139499873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).