N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

C13H17N7 — CID 146142731

IUPACN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nc(C)c(C)[nH]2)n2nc(C)nc2n1
InChIInChI=1S/C13H17N7/c1-7-5-12(20-13(15-7)18-10(4)19-20)14-6-11-16-8(2)9(3)17-11/h5,14H,6H2,1-4H3,(H,16,17)
InChIKeyUIEAALQUAOSBMT-UHFFFAOYSA-N
MW271.33 g/mol
LogP1.69
Rot. Bonds3

About N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine

N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (PubChem CID 146142731) has the molecular formula C13H17N7 and a molecular weight of 271.33 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
PubChem CID146142731
Molecular FormulaC13H17N7
Molecular Weight271.33 g/mol
Exact Mass271.15
IUPAC NameN-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(NCc2nc(C)c(C)[nH]2)n2nc(C)nc2n1
InChIInChI=1S/C13H17N7/c1-7-5-12(20-13(15-7)18-10(4)19-20)14-6-11-16-8(2)9(3)17-11/h5,14H,6H2,1-4H3,(H,16,17)
InChIKeyUIEAALQUAOSBMT-UHFFFAOYSA-N
XLogP1.69
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine (CID 146142731) is N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is Cc1cc(NCc2nc(C)c(C)[nH]2)n2nc(C)nc2n1.
What is the InChIKey of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UIEAALQUAOSBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N7/c1-7-5-12(20-13(15-7)18-10(4)19-20)14-6-11-16-8(2)9(3)17-11/h5,14H,6H2,1-4H3,(H,16,17).
What are the key properties of N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine?
N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 271.33 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1H-imidazol-2-yl)methyl]-2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 146142731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).