1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol

C11H20ClN5O3 — CID 118166334

IUPAC1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COCC(C)(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C11H20ClN5O3/c1-11(2,6-20-5-7(18)4-19-3)15-10-14-9(13)8(12)16-17-10/h7,18H,4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyFOIMLSGVIVWCNT-UHFFFAOYSA-N
MW305.77 g/mol
LogP0.32
Rot. Bonds8

About 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol

1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol (PubChem CID 118166334) has the molecular formula C11H20ClN5O3 and a molecular weight of 305.77 g/mol. Its IUPAC name is 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol
PubChem CID118166334
Molecular FormulaC11H20ClN5O3
Molecular Weight305.77 g/mol
Exact Mass305.13
IUPAC Name1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol
SMILESCOCC(O)COCC(C)(C)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C11H20ClN5O3/c1-11(2,6-20-5-7(18)4-19-3)15-10-14-9(13)8(12)16-17-10/h7,18H,4-6H2,1-3H3,(H3,13,14,15,17)
InChIKeyFOIMLSGVIVWCNT-UHFFFAOYSA-N
XLogP0.32
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol?
The IUPAC name of 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol (CID 118166334) is 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol is COCC(O)COCC(C)(C)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol?
The InChIKey is FOIMLSGVIVWCNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5O3/c1-11(2,6-20-5-7(18)4-19-3)15-10-14-9(13)8(12)16-17-10/h7,18H,4-6H2,1-3H3,(H3,13,14,15,17).
What are the key properties of 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol?
1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol has a molecular weight of 305.77 g/mol, XLogP of 0.32, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-2-methylpropoxy]-3-methoxypropan-2-ol is sourced from PubChem (CID 118166334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).