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

C10H16ClN5 — CID 166099116

IUPAC6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5/c1-7-9(11)14-15-10(12-7)13-8-4-3-5-16(2)6-8/h8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyVWPHWGWAXLKAQR-MRVPVSSYSA-N
MW241.73 g/mol
LogP1.34
Rot. Bonds2

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

6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine (PubChem CID 166099116) has the molecular formula C10H16ClN5 and a molecular weight of 241.73 g/mol. Its IUPAC name is 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
PubChem CID166099116
Molecular FormulaC10H16ClN5
Molecular Weight241.73 g/mol
Exact Mass241.11
IUPAC Name6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(C)C2)nnc1Cl
InChIInChI=1S/C10H16ClN5/c1-7-9(11)14-15-10(12-7)13-8-4-3-5-16(2)6-8/h8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1
InChIKeyVWPHWGWAXLKAQR-MRVPVSSYSA-N
XLogP1.34
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.73
LogP ≤ 51.34
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-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine (CID 166099116) is 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCN(C)C2)nnc1Cl.
What is the InChIKey of 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
The InChIKey is VWPHWGWAXLKAQR-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16ClN5/c1-7-9(11)14-15-10(12-7)13-8-4-3-5-16(2)6-8/h8H,3-6H2,1-2H3,(H,12,13,15)/t8-/m1/s1.
What are the key properties of 6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine?
6-chloro-5-methyl-N-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine has a molecular weight of 241.73 g/mol, XLogP of 1.34, 2 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-[(3R)-1-methylpiperidin-3-yl]-1,2,4-triazin-3-amine is sourced from PubChem (CID 166099116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).