N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine

C12H19N5 — CID 79816526

IUPACN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc2nnc(CNC(C)(C)C)n2c(C)n1
InChIInChI=1S/C12H19N5/c1-8-6-10-15-16-11(7-13-12(3,4)5)17(10)9(2)14-8/h6,13H,7H2,1-5H3
InChIKeyQMXGMGJUINABCI-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.63
Rot. Bonds2

About N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine

N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine (PubChem CID 79816526) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine
PubChem CID79816526
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC NameN-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine
SMILESCc1cc2nnc(CNC(C)(C)C)n2c(C)n1
InChIInChI=1S/C12H19N5/c1-8-6-10-15-16-11(7-13-12(3,4)5)17(10)9(2)14-8/h6,13H,7H2,1-5H3
InChIKeyQMXGMGJUINABCI-UHFFFAOYSA-N
XLogP1.63
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine (CID 79816526) is N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine is Cc1cc2nnc(CNC(C)(C)C)n2c(C)n1.
What is the InChIKey of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is QMXGMGJUINABCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-8-6-10-15-16-11(7-13-12(3,4)5)17(10)9(2)14-8/h6,13H,7H2,1-5H3.
What are the key properties of N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine?
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 233.32 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 79816526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).