N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

C16H18N6 — CID 95833511

IUPACN-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(Cn2nnc3c(NC4CC4)nc(C)nc32)cc1
InChIInChI=1S/C16H18N6/c1-10-3-5-12(6-4-10)9-22-16-14(20-21-22)15(17-11(2)18-16)19-13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyQTCGSKYEMXLDIM-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.46
Rot. Bonds4

About N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine

N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (PubChem CID 95833511) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
PubChem CID95833511
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC NameN-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(Cn2nnc3c(NC4CC4)nc(C)nc32)cc1
InChIInChI=1S/C16H18N6/c1-10-3-5-12(6-4-10)9-22-16-14(20-21-22)15(17-11(2)18-16)19-13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,17,18,19)
InChIKeyQTCGSKYEMXLDIM-UHFFFAOYSA-N
XLogP2.46
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine (CID 95833511) is N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(Cn2nnc3c(NC4CC4)nc(C)nc32)cc1.
What is the InChIKey of N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is QTCGSKYEMXLDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-10-3-5-12(6-4-10)9-22-16-14(20-21-22)15(17-11(2)18-16)19-13-7-8-13/h3-6,13H,7-9H2,1-2H3,(H,17,18,19).
What are the key properties of N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine?
N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 294.36 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-methyl-3-[(4-methylphenyl)methyl]triazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 95833511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).