tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane

C16H30N6O2 — CID 144887381

IUPACtert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane
SMILESCC.CC1(NC(=O)OC(C)(C)C)CCN(c2nncc(N)n2)CC1
InChIInChI=1S/C14H24N6O2.C2H6/c1-13(2,3)22-12(21)18-14(4)5-7-20(8-6-14)11-17-10(15)9-16-19-11;1-2/h9H,5-8H2,1-4H3,(H,18,21)(H2,15,17,19);1-2H3
InChIKeyDYTQVIVWFSMQPU-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.36
Rot. Bonds2

About tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane

tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane (PubChem CID 144887381) has the molecular formula C16H30N6O2 and a molecular weight of 338.46 g/mol. Its IUPAC name is tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane.

Molecular Properties

Compound Nametert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane
PubChem CID144887381
Molecular FormulaC16H30N6O2
Molecular Weight338.46 g/mol
Exact Mass338.24
IUPAC Nametert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane
SMILESCC.CC1(NC(=O)OC(C)(C)C)CCN(c2nncc(N)n2)CC1
InChIInChI=1S/C14H24N6O2.C2H6/c1-13(2,3)22-12(21)18-14(4)5-7-20(8-6-14)11-17-10(15)9-16-19-11;1-2/h9H,5-8H2,1-4H3,(H,18,21)(H2,15,17,19);1-2H3
InChIKeyDYTQVIVWFSMQPU-UHFFFAOYSA-N
XLogP2.36
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane?
The IUPAC name of tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane (CID 144887381) is tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane.
What is the SMILES notation for tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane?
The canonical SMILES for tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane is CC.CC1(NC(=O)OC(C)(C)C)CCN(c2nncc(N)n2)CC1.
What is the InChIKey of tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane?
The InChIKey is DYTQVIVWFSMQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2.C2H6/c1-13(2,3)22-12(21)18-14(4)5-7-20(8-6-14)11-17-10(15)9-16-19-11;1-2/h9H,5-8H2,1-4H3,(H,18,21)(H2,15,17,19);1-2H3.
What are the key properties of tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane?
tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane has a molecular weight of 338.46 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamate;ethane is sourced from PubChem (CID 144887381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).