4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine

C11H18N6O — CID 114163264

IUPAC4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C11H18N6O/c1-8-5-10(13-4-3-9(12)6-18-2)17-11(16-8)14-7-15-17/h5,7,9,13H,3-4,6,12H2,1-2H3
InChIKeyYMZMLKPLXOPWPK-UHFFFAOYSA-N
MW250.31 g/mol
LogP0.21
Rot. Bonds6

About 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine

4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine (PubChem CID 114163264) has the molecular formula C11H18N6O and a molecular weight of 250.31 g/mol. Its IUPAC name is 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
PubChem CID114163264
Molecular FormulaC11H18N6O
Molecular Weight250.31 g/mol
Exact Mass250.15
IUPAC Name4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine
SMILESCOCC(N)CCNc1cc(C)nc2ncnn12
InChIInChI=1S/C11H18N6O/c1-8-5-10(13-4-3-9(12)6-18-2)17-11(16-8)14-7-15-17/h5,7,9,13H,3-4,6,12H2,1-2H3
InChIKeyYMZMLKPLXOPWPK-UHFFFAOYSA-N
XLogP0.21
TPSA90.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-1-phenylpropane-1,3-diamine
CID 80505333
1-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pentan-3-ol
CID 115702113
5-methyl-N-(5-methylhexyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79003007
N-(1-chloro-3-methoxypropan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 106181451
5-methyl-N-(3-propoxypropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 82944187
5-methyl-N-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 63226890
N-(5-chloropentyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 107320766
N-[2-(6-methoxy-2-pyridinyl)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 126809183
N-[2-(2-tert-butylphenoxy)ethyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133293620
methyl 6-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]hexanoate
CID 39772396
5-methyl-N-(4,4,4-trifluorobutyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 79040439
N-(2,2-diphenylethyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 3228693

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine?
The IUPAC name of 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine (CID 114163264) is 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine.
What is the SMILES notation for 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine?
The canonical SMILES for 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine is COCC(N)CCNc1cc(C)nc2ncnn12.
What is the InChIKey of 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine?
The InChIKey is YMZMLKPLXOPWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N6O/c1-8-5-10(13-4-3-9(12)6-18-2)17-11(16-8)14-7-15-17/h5,7,9,13H,3-4,6,12H2,1-2H3.
What are the key properties of 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine?
4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine has a molecular weight of 250.31 g/mol, XLogP of 0.21, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)butane-1,3-diamine is sourced from PubChem (CID 114163264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).