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

C11H18N6O2 — CID 146563064

IUPAC[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid
SMILESCC1(CNC(=O)O)CCN(c2nncc(N)n2)CC1
InChIInChI=1S/C11H18N6O2/c1-11(7-13-10(18)19)2-4-17(5-3-11)9-15-8(12)6-14-16-9/h6,13H,2-5,7H2,1H3,(H,18,19)(H2,12,15,16)
InChIKeyLPFFGIOZPDDSBL-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.33
Rot. Bonds3

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

[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid (PubChem CID 146563064) has the molecular formula C11H18N6O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid.

Molecular Properties

Compound Name[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid
PubChem CID146563064
Molecular FormulaC11H18N6O2
Molecular Weight266.30 g/mol
Exact Mass266.15
IUPAC Name[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid
SMILESCC1(CNC(=O)O)CCN(c2nncc(N)n2)CC1
InChIInChI=1S/C11H18N6O2/c1-11(7-13-10(18)19)2-4-17(5-3-11)9-15-8(12)6-14-16-9/h6,13H,2-5,7H2,1H3,(H,18,19)(H2,12,15,16)
InChIKeyLPFFGIOZPDDSBL-UHFFFAOYSA-N
XLogP0.33
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid?
The IUPAC name of [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid (CID 146563064) is [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid.
What is the SMILES notation for [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid?
The canonical SMILES for [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid is CC1(CNC(=O)O)CCN(c2nncc(N)n2)CC1.
What is the InChIKey of [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid?
The InChIKey is LPFFGIOZPDDSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O2/c1-11(7-13-10(18)19)2-4-17(5-3-11)9-15-8(12)6-14-16-9/h6,13H,2-5,7H2,1H3,(H,18,19)(H2,12,15,16).
What are the key properties of [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid?
[1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid has a molecular weight of 266.30 g/mol, XLogP of 0.33, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(5-amino-1,2,4-triazin-3-yl)-4-methylpiperidin-4-yl]methylcarbamic acid is sourced from PubChem (CID 146563064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).