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

C12H17ClN8 — CID 62864636

IUPAC4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17ClN8/c13-10-17-11(15-4-7-20-5-2-1-3-6-20)19-12(18-10)21-9-14-8-16-21/h8-9H,1-7H2,(H,15,17,18,19)
InChIKeyFTDDKITVCSPGTQ-UHFFFAOYSA-N
MW308.78 g/mol
LogP1.00
Rot. Bonds5

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

4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (PubChem CID 62864636) has the molecular formula C12H17ClN8 and a molecular weight of 308.78 g/mol. Its IUPAC name is 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
PubChem CID62864636
Molecular FormulaC12H17ClN8
Molecular Weight308.78 g/mol
Exact Mass308.13
IUPAC Name4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
SMILESClc1nc(NCCN2CCCCC2)nc(-n2cncn2)n1
InChIInChI=1S/C12H17ClN8/c13-10-17-11(15-4-7-20-5-2-1-3-6-20)19-12(18-10)21-9-14-8-16-21/h8-9H,1-7H2,(H,15,17,18,19)
InChIKeyFTDDKITVCSPGTQ-UHFFFAOYSA-N
XLogP1.00
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.78
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine (CID 62864636) is 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is Clc1nc(NCCN2CCCCC2)nc(-n2cncn2)n1.
What is the InChIKey of 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
The InChIKey is FTDDKITVCSPGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN8/c13-10-17-11(15-4-7-20-5-2-1-3-6-20)19-12(18-10)21-9-14-8-16-21/h8-9H,1-7H2,(H,15,17,18,19).
What are the key properties of 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine?
4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine has a molecular weight of 308.78 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2-piperidin-1-ylethyl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 62864636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).