1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane

C15H24ClN5 — CID 745256

IUPAC1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane
SMILESClc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H24ClN5/c16-13-17-14(20-9-5-1-2-6-10-20)19-15(18-13)21-11-7-3-4-8-12-21/h1-12H2
InChIKeyLQMHOISJOWPGGP-UHFFFAOYSA-N
MW309.85 g/mol
LogP3.29
Rot. Bonds2

About 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane

1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane (PubChem CID 745256) has the molecular formula C15H24ClN5 and a molecular weight of 309.85 g/mol. Its IUPAC name is 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane.

Molecular Properties

Compound Name1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane
PubChem CID745256
Molecular FormulaC15H24ClN5
Molecular Weight309.85 g/mol
Exact Mass309.17
IUPAC Name1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane
SMILESClc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1
InChIInChI=1S/C15H24ClN5/c16-13-17-14(20-9-5-1-2-6-10-20)19-15(18-13)21-11-7-3-4-8-12-21/h1-12H2
InChIKeyLQMHOISJOWPGGP-UHFFFAOYSA-N
XLogP3.29
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.85
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-Diazaperhydroepinyl-4-methoxy-1,3,5-triazine
CID 648148
1H-Azepine, 1-(4,6-dichloro-1,3,5-triazin-2-yl)hexahydro-
CID 3062483
1-[4,6-Bis(azepan-1-yl)-1,3,5-triazin-2-yl]azepane
CID 1069193
6-(Azepan-1-yl)-1,3,5-triazine-2,4-diamine
CID 53648269
4,6-Dichloro-N,N-dihexyl-1,3,5-triazin-2-amine
CID 10520613
4-(azepan-1-yl)-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 14813052
6-(azepan-1-yl)-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 67414391
1-(azepan-1-yl)-N-[4,6-bis(azepan-1-ylmethylideneamino)-1,3,5-triazin-2-yl]methanimine
CID 151245556
4-(azepan-1-yl)-6-chloro-N-ethyl-1,3,5-triazin-2-amine
CID 13474698
1-[4-Chloro-6-(1-pyrrolidinyl)-1,3,5-triazin-2-yl]hexahydro-1H-azepine
CID 13474699
4-(azepan-1-yl)-6-chloro-N,N-dimethyl-1,3,5-triazin-2-amine
CID 34882695
1-(4-Chloro-1,3,5-triazin-2-yl)azepane
CID 53215434

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane?
The IUPAC name of 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane (CID 745256) is 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane.
What is the SMILES notation for 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane?
The canonical SMILES for 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane is Clc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1.
What is the InChIKey of 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane?
The InChIKey is LQMHOISJOWPGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN5/c16-13-17-14(20-9-5-1-2-6-10-20)19-15(18-13)21-11-7-3-4-8-12-21/h1-12H2.
What are the key properties of 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane?
1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane has a molecular weight of 309.85 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-yl)-6-chloro-1,3,5-triazin-2-yl]azepane is sourced from PubChem (CID 745256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).