6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine

C11H18ClN5 — CID 176918060

IUPAC6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nc(NC[C@@H]2CCCN(C)C2)nnc1Cl
InChIInChI=1S/C11H18ClN5/c1-8-10(12)15-16-11(14-8)13-6-9-4-3-5-17(2)7-9/h9H,3-7H2,1-2H3,(H,13,14,16)/t9-/m0/s1
InChIKeyYOPGMURRWQLTMO-VIFPVBQESA-N
MW255.75 g/mol
LogP1.59
Rot. Bonds3

About 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine

6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine (PubChem CID 176918060) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine
PubChem CID176918060
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine
SMILESCc1nc(NC[C@@H]2CCCN(C)C2)nnc1Cl
InChIInChI=1S/C11H18ClN5/c1-8-10(12)15-16-11(14-8)13-6-9-4-3-5-17(2)7-9/h9H,3-7H2,1-2H3,(H,13,14,16)/t9-/m0/s1
InChIKeyYOPGMURRWQLTMO-VIFPVBQESA-N
XLogP1.59
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine (CID 176918060) is 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine is Cc1nc(NC[C@@H]2CCCN(C)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine?
The InChIKey is YOPGMURRWQLTMO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18ClN5/c1-8-10(12)15-16-11(14-8)13-6-9-4-3-5-17(2)7-9/h9H,3-7H2,1-2H3,(H,13,14,16)/t9-/m0/s1.
What are the key properties of 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine?
6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine has a molecular weight of 255.75 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-N-[[(3S)-1-methylpiperidin-3-yl]methyl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).