5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C16H19N5O — CID 54583365

IUPAC5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(OC(C)(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-11-9-14(21-15(19-11)17-10-18-21)20-12-5-7-13(8-6-12)22-16(2,3)4/h5-10,20H,1-4H3
InChIKeyDQQSPZHACZDTLC-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.35
Rot. Bonds3

About 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 54583365) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID54583365
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(Nc2ccc(OC(C)(C)C)cc2)n2ncnc2n1
InChIInChI=1S/C16H19N5O/c1-11-9-14(21-15(19-11)17-10-18-21)20-12-5-7-13(8-6-12)22-16(2,3)4/h5-10,20H,1-4H3
InChIKeyDQQSPZHACZDTLC-UHFFFAOYSA-N
XLogP3.35
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 54583365) is 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(Nc2ccc(OC(C)(C)C)cc2)n2ncnc2n1.
What is the InChIKey of 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is DQQSPZHACZDTLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11-9-14(21-15(19-11)17-10-18-21)20-12-5-7-13(8-6-12)22-16(2,3)4/h5-10,20H,1-4H3.
What are the key properties of 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 297.36 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 54583365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).