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

C14H22ClN5 — CID 176918052

IUPAC6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CC3CCC3)C2)nnc1Cl
InChIInChI=1S/C14H22ClN5/c1-10-13(15)18-19-14(16-10)17-12-6-3-7-20(9-12)8-11-4-2-5-11/h11-12H,2-9H2,1H3,(H,16,17,19)/t12-/m1/s1
InChIKeyKDFYNYMGWWFYRS-GFCCVEGCSA-N
MW295.82 g/mol
LogP2.51
Rot. Bonds4

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

6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 176918052) has the molecular formula C14H22ClN5 and a molecular weight of 295.82 g/mol. Its IUPAC name is 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID176918052
Molecular FormulaC14H22ClN5
Molecular Weight295.82 g/mol
Exact Mass295.16
IUPAC Name6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine
SMILESCc1nc(N[C@@H]2CCCN(CC3CCC3)C2)nnc1Cl
InChIInChI=1S/C14H22ClN5/c1-10-13(15)18-19-14(16-10)17-12-6-3-7-20(9-12)8-11-4-2-5-11/h11-12H,2-9H2,1H3,(H,16,17,19)/t12-/m1/s1
InChIKeyKDFYNYMGWWFYRS-GFCCVEGCSA-N
XLogP2.51
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.82
LogP ≤ 52.51
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-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine (CID 176918052) is 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is Cc1nc(N[C@@H]2CCCN(CC3CCC3)C2)nnc1Cl.
What is the InChIKey of 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is KDFYNYMGWWFYRS-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22ClN5/c1-10-13(15)18-19-14(16-10)17-12-6-3-7-20(9-12)8-11-4-2-5-11/h11-12H,2-9H2,1H3,(H,16,17,19)/t12-/m1/s1.
What are the key properties of 6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-[(3R)-1-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 295.82 g/mol, XLogP of 2.51, 4 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-(cyclobutylmethyl)piperidin-3-yl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 176918052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).