1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol

C10H14Cl2N4O — CID 107405815

IUPAC1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H14Cl2N4O/c1-10(17)3-2-5-16(6-4-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3
InChIKeyKQOLSFJKTUJQCJ-UHFFFAOYSA-N
MW277.15 g/mol
LogP1.92
Rot. Bonds1

About 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol

1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol (PubChem CID 107405815) has the molecular formula C10H14Cl2N4O and a molecular weight of 277.15 g/mol. Its IUPAC name is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
PubChem CID107405815
Molecular FormulaC10H14Cl2N4O
Molecular Weight277.15 g/mol
Exact Mass276.05
IUPAC Name1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol
SMILESCC1(O)CCCN(c2nc(Cl)nc(Cl)n2)CC1
InChIInChI=1S/C10H14Cl2N4O/c1-10(17)3-2-5-16(6-4-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3
InChIKeyKQOLSFJKTUJQCJ-UHFFFAOYSA-N
XLogP1.92
TPSA62.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-chloro-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81107824
1-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-4-methylpiperidin-4-ol
CID 81108688
1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107405881
1-[4-methoxy-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409062
1-(5-amino-2-chloropyrimidin-4-yl)-4-methylazepan-4-ol
CID 114044014
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-(trifluoromethyl)piperidin-4-ol
CID 112737718
1-(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-3-methylpyrrolidin-3-ol
CID 103357380
1-[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]-4-methylazepan-4-ol
CID 107409153
1-(4-chloro-1,2,5-thiadiazol-3-yl)-4-methylazepan-4-ol
CID 107405803
1-(4-aminopyrimidin-2-yl)-4-methylazepan-4-ol
CID 107409005
4-chloro-6-(4,4-dimethylazepan-1-yl)-N,N-dimethyl-1,3,5-triazin-2-amine
CID 65282191
4-chloro-N-(1-methylcyclobutyl)-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 113485848

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol?
The IUPAC name of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol (CID 107405815) is 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol.
What is the SMILES notation for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol?
The canonical SMILES for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol is CC1(O)CCCN(c2nc(Cl)nc(Cl)n2)CC1.
What is the InChIKey of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol?
The InChIKey is KQOLSFJKTUJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14Cl2N4O/c1-10(17)3-2-5-16(6-4-10)9-14-7(11)13-8(12)15-9/h17H,2-6H2,1H3.
What are the key properties of 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol?
1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol has a molecular weight of 277.15 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dichloro-1,3,5-triazin-2-yl)-4-methylazepan-4-ol is sourced from PubChem (CID 107405815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).