[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid

C10H15BrN6O2 — CID 118239519

IUPAC[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2nnc(Br)c(N)n2)CC1
InChIInChI=1S/C10H15BrN6O2/c1-10(14-9(18)19)2-4-17(5-3-10)8-13-7(12)6(11)15-16-8/h14H,2-5H2,1H3,(H,18,19)(H2,12,13,16)
InChIKeyYGISVUAEOIHDRG-UHFFFAOYSA-N
MW331.17 g/mol
LogP0.84
Rot. Bonds2

About [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid

[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid (PubChem CID 118239519) has the molecular formula C10H15BrN6O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid.

Molecular Properties

Compound Name[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
PubChem CID118239519
Molecular FormulaC10H15BrN6O2
Molecular Weight331.17 g/mol
Exact Mass330.04
IUPAC Name[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid
SMILESCC1(NC(=O)O)CCN(c2nnc(Br)c(N)n2)CC1
InChIInChI=1S/C10H15BrN6O2/c1-10(14-9(18)19)2-4-17(5-3-10)8-13-7(12)6(11)15-16-8/h14H,2-5H2,1H3,(H,18,19)(H2,12,13,16)
InChIKeyYGISVUAEOIHDRG-UHFFFAOYSA-N
XLogP0.84
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid?
The IUPAC name of [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid (CID 118239519) is [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid.
What is the SMILES notation for [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid?
The canonical SMILES for [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid is CC1(NC(=O)O)CCN(c2nnc(Br)c(N)n2)CC1.
What is the InChIKey of [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid?
The InChIKey is YGISVUAEOIHDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN6O2/c1-10(14-9(18)19)2-4-17(5-3-10)8-13-7(12)6(11)15-16-8/h14H,2-5H2,1H3,(H,18,19)(H2,12,13,16).
What are the key properties of [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid?
[1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid has a molecular weight of 331.17 g/mol, XLogP of 0.84, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-6-bromo-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]carbamic acid is sourced from PubChem (CID 118239519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).