4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine

C11H15ClN8 — CID 106193154

IUPAC4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2ncn[nH]2)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15ClN8/c12-9-16-10(13-6-8-14-7-15-19-8)18-11(17-9)20-4-2-1-3-5-20/h7H,1-6H2,(H,14,15,19)(H,13,16,17,18)
InChIKeyOYFMXNLSRWJURN-UHFFFAOYSA-N
MW294.75 g/mol
LogP1.25
Rot. Bonds4

About 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine (PubChem CID 106193154) has the molecular formula C11H15ClN8 and a molecular weight of 294.75 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
PubChem CID106193154
Molecular FormulaC11H15ClN8
Molecular Weight294.75 g/mol
Exact Mass294.11
IUPAC Name4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCc2ncn[nH]2)nc(N2CCCCC2)n1
InChIInChI=1S/C11H15ClN8/c12-9-16-10(13-6-8-14-7-15-19-8)18-11(17-9)20-4-2-1-3-5-20/h7H,1-6H2,(H,14,15,19)(H,13,16,17,18)
InChIKeyOYFMXNLSRWJURN-UHFFFAOYSA-N
XLogP1.25
TPSA95.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine (CID 106193154) is 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine is Clc1nc(NCc2ncn[nH]2)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is OYFMXNLSRWJURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN8/c12-9-16-10(13-6-8-14-7-15-19-8)18-11(17-9)20-4-2-1-3-5-20/h7H,1-6H2,(H,14,15,19)(H,13,16,17,18).
What are the key properties of 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 294.75 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 106193154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).