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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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).