1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

C9H14ClN5O — CID 102971210

IUPAC1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(N)nc(Cl)n2)CC1O
InChIInChI=1S/C9H14ClN5O/c1-5-2-3-15(4-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyYUCHAMJMBZZMHJ-UHFFFAOYSA-N
MW243.70 g/mol
LogP0.31
Rot. Bonds1

About 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol

1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (PubChem CID 102971210) has the molecular formula C9H14ClN5O and a molecular weight of 243.70 g/mol. Its IUPAC name is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.

Molecular Properties

Compound Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
PubChem CID102971210
Molecular FormulaC9H14ClN5O
Molecular Weight243.70 g/mol
Exact Mass243.09
IUPAC Name1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol
SMILESCC1CCN(c2nc(N)nc(Cl)n2)CC1O
InChIInChI=1S/C9H14ClN5O/c1-5-2-3-15(4-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3,(H2,11,12,13,14)
InChIKeyYUCHAMJMBZZMHJ-UHFFFAOYSA-N
XLogP0.31
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The IUPAC name of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol (CID 102971210) is 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol.
What is the SMILES notation for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The canonical SMILES for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is CC1CCN(c2nc(N)nc(Cl)n2)CC1O.
What is the InChIKey of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
The InChIKey is YUCHAMJMBZZMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN5O/c1-5-2-3-15(4-6(5)16)9-13-7(10)12-8(11)14-9/h5-6,16H,2-4H2,1H3,(H2,11,12,13,14).
What are the key properties of 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol?
1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol has a molecular weight of 243.70 g/mol, XLogP of 0.31, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-chloro-1,3,5-triazin-2-yl)-4-methylpiperidin-3-ol is sourced from PubChem (CID 102971210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).