4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine

C10H16ClN5 — CID 80764933

IUPAC4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCCCCCC2)n1
InChIInChI=1S/C10H16ClN5/c11-8-13-9(12)15-10(14-8)16-6-4-2-1-3-5-7-16/h1-7H2,(H2,12,13,14,15)
InChIKeyPECANDDOLKUUID-UHFFFAOYSA-N
MW241.73 g/mol
LogP1.88
Rot. Bonds1

About 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine

4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine (PubChem CID 80764933) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
PubChem CID80764933
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(N2CCCCCCC2)n1
InChIInChI=1S/C10H16ClN5/c11-8-13-9(12)15-10(14-8)16-6-4-2-1-3-5-7-16/h1-7H2,(H2,12,13,14,15)
InChIKeyPECANDDOLKUUID-UHFFFAOYSA-N
XLogP1.88
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N,N-dimethyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 10681597
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-[4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine;4-(4-chloro-6-morpholin-4-yl-1,3,5-triazin-2-yl)morpholine
CID 45133473
[1-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperidin-4-yl]methanol
CID 80757183
4-chloro-6-(2-methyl-1,4-oxazepan-4-yl)-1,3,5-triazin-2-amine
CID 80824389
2,4,6-tri(piperidin-1-yl)-1,3,5-triazine
CID 2827031
4-(4-chlorophenyl)sulfanyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80873072
4-chloro-6-[4-(2-fluorophenyl)piperazin-1-yl]-1,3,5-triazin-2-amine
CID 80775135
4-chloro-N-methyl-6-piperidin-1-yl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62868341
N'-(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)methanediamine;methane
CID 158442311
4-pyrrolidin-1-yl-6-(1,4-thiazepan-4-yl)-1,3,5-triazin-2-amine
CID 80795140
4-(4-amino-6-chloro-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855882

Frequently Asked Questions

What is the IUPAC name of 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The IUPAC name of 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine (CID 80764933) is 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(N2CCCCCCC2)n1.
What is the InChIKey of 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine?
The InChIKey is PECANDDOLKUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN5/c11-8-13-9(12)15-10(14-8)16-6-4-2-1-3-5-7-16/h1-7H2,(H2,12,13,14,15).
What are the key properties of 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine?
4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine has a molecular weight of 241.73 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azocan-1-yl)-6-chloro-1,3,5-triazin-2-amine is sourced from PubChem (CID 80764933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).