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

C10H18ClN5O3 — CID 118166048

IUPAC2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol
SMILESCOCCOCC(C)(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C10H18ClN5O3/c1-10(5-17,6-19-4-3-18-2)14-9-13-8(12)7(11)15-16-9/h17H,3-6H2,1-2H3,(H3,12,13,14,16)
InChIKeyVPWMCBTVLJMTKD-UHFFFAOYSA-N
MW291.74 g/mol
LogP-0.07
Rot. Bonds8

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

2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol (PubChem CID 118166048) has the molecular formula C10H18ClN5O3 and a molecular weight of 291.74 g/mol. Its IUPAC name is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol
PubChem CID118166048
Molecular FormulaC10H18ClN5O3
Molecular Weight291.74 g/mol
Exact Mass291.11
IUPAC Name2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol
SMILESCOCCOCC(C)(CO)Nc1nnc(Cl)c(N)n1
InChIInChI=1S/C10H18ClN5O3/c1-10(5-17,6-19-4-3-18-2)14-9-13-8(12)7(11)15-16-9/h17H,3-6H2,1-2H3,(H3,12,13,14,16)
InChIKeyVPWMCBTVLJMTKD-UHFFFAOYSA-N
XLogP-0.07
TPSA115.41 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol?
The IUPAC name of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol (CID 118166048) is 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol?
The canonical SMILES for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol is COCCOCC(C)(CO)Nc1nnc(Cl)c(N)n1.
What is the InChIKey of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol?
The InChIKey is VPWMCBTVLJMTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5O3/c1-10(5-17,6-19-4-3-18-2)14-9-13-8(12)7(11)15-16-9/h17H,3-6H2,1-2H3,(H3,12,13,14,16).
What are the key properties of 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol?
2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol has a molecular weight of 291.74 g/mol, XLogP of -0.07, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-6-chloro-1,2,4-triazin-3-yl)amino]-3-(2-methoxyethoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 118166048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).