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

C12H19ClFN5 — CID 176918051

IUPAC6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CCCF)C2)nnc1Cl
InChIInChI=1S/C12H19ClFN5/c1-9-11(13)17-18-12(15-9)16-10-4-2-6-19(8-10)7-3-5-14/h10H,2-8H2,1H3,(H,15,16,18)/t10-/m1/s1
InChIKeyBSWXVMOBCWLLFP-SNVBAGLBSA-N
MW287.77 g/mol
LogP2.07
Rot. Bonds5

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

6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 176918051) has the molecular formula C12H19ClFN5 and a molecular weight of 287.77 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID176918051
Molecular FormulaC12H19ClFN5
Molecular Weight287.77 g/mol
Exact Mass287.13
IUPAC Name6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CCCF)C2)nnc1Cl
InChIInChI=1S/C12H19ClFN5/c1-9-11(13)17-18-12(15-9)16-10-4-2-6-19(8-10)7-3-5-14/h10H,2-8H2,1H3,(H,15,16,18)/t10-/m1/s1
InChIKeyBSWXVMOBCWLLFP-SNVBAGLBSA-N
XLogP2.07
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (CID 176918051) is 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCN(CCCF)C2)nnc1Cl.
What is the InChIKey of 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is BSWXVMOBCWLLFP-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H19ClFN5/c1-9-11(13)17-18-12(15-9)16-10-4-2-6-19(8-10)7-3-5-14/h10H,2-8H2,1H3,(H,15,16,18)/t10-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 287.77 g/mol, XLogP of 2.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3R)-1-(3-fluoropropyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).