3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol

C10H18N4O2 — CID 104924397

IUPAC3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-8(2)13-14-10(11-7)12-9(4-5-15)6-16-3/h9,15H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyNQMGUTYSOPFEPY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.30
Rot. Bonds6

About 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol

3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol (PubChem CID 104924397) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol.

Molecular Properties

Compound Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol
PubChem CID104924397
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol
SMILESCOCC(CCO)Nc1nnc(C)c(C)n1
InChIInChI=1S/C10H18N4O2/c1-7-8(2)13-14-10(11-7)12-9(4-5-15)6-16-3/h9,15H,4-6H2,1-3H3,(H,11,12,14)
InChIKeyNQMGUTYSOPFEPY-UHFFFAOYSA-N
XLogP0.30
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol?
The IUPAC name of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol (CID 104924397) is 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol.
What is the SMILES notation for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol?
The canonical SMILES for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol is COCC(CCO)Nc1nnc(C)c(C)n1.
What is the InChIKey of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol?
The InChIKey is NQMGUTYSOPFEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-7-8(2)13-14-10(11-7)12-9(4-5-15)6-16-3/h9,15H,4-6H2,1-3H3,(H,11,12,14).
What are the key properties of 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol?
3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol has a molecular weight of 226.28 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]-4-methoxybutan-1-ol is sourced from PubChem (CID 104924397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).