N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

C15H18N6S — CID 86772821

IUPACN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nnc2n1CC(Nc1ncnc3sccc13)CC2
InChIInChI=1S/C15H18N6S/c1-9(2)14-20-19-12-4-3-10(7-21(12)14)18-13-11-5-6-22-15(11)17-8-16-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyLTZATUSOEFLUDP-UHFFFAOYSA-N
MW314.42 g/mol
LogP2.83
Rot. Bonds3

About N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine

N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 86772821) has the molecular formula C15H18N6S and a molecular weight of 314.42 g/mol. Its IUPAC name is N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID86772821
Molecular FormulaC15H18N6S
Molecular Weight314.42 g/mol
Exact Mass314.13
IUPAC NameN-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)c1nnc2n1CC(Nc1ncnc3sccc13)CC2
InChIInChI=1S/C15H18N6S/c1-9(2)14-20-19-12-4-3-10(7-21(12)14)18-13-11-5-6-22-15(11)17-8-16-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18)
InChIKeyLTZATUSOEFLUDP-UHFFFAOYSA-N
XLogP2.83
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.42
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine (CID 86772821) is N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)c1nnc2n1CC(Nc1ncnc3sccc13)CC2.
What is the InChIKey of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LTZATUSOEFLUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6S/c1-9(2)14-20-19-12-4-3-10(7-21(12)14)18-13-11-5-6-22-15(11)17-8-16-13/h5-6,8-10H,3-4,7H2,1-2H3,(H,16,17,18).
What are the key properties of N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine?
N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 314.42 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 86772821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).