6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine

C17H25N7O — CID 129331963

IUPAC6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCn3cnnc3C2)ncn1
InChIInChI=1S/C17H25N7O/c1-12(2)17-13(4-3-7-25-17)21-14-8-15(19-10-18-14)23-5-6-24-11-20-22-16(24)9-23/h8,10-13,17H,3-7,9H2,1-2H3,(H,18,19,21)/t13-,17+/m1/s1
InChIKeyCRCSHQPSYBDMGG-DYVFJYSZSA-N
MW343.44 g/mol
LogP1.70
Rot. Bonds4

About 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine

6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine (PubChem CID 129331963) has the molecular formula C17H25N7O and a molecular weight of 343.44 g/mol. Its IUPAC name is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
PubChem CID129331963
Molecular FormulaC17H25N7O
Molecular Weight343.44 g/mol
Exact Mass343.21
IUPAC Name6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine
SMILESCC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCn3cnnc3C2)ncn1
InChIInChI=1S/C17H25N7O/c1-12(2)17-13(4-3-7-25-17)21-14-8-15(19-10-18-14)23-5-6-24-11-20-22-16(24)9-23/h8,10-13,17H,3-7,9H2,1-2H3,(H,18,19,21)/t13-,17+/m1/s1
InChIKeyCRCSHQPSYBDMGG-DYVFJYSZSA-N
XLogP1.70
TPSA80.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.44
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The IUPAC name of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine (CID 129331963) is 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The canonical SMILES for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine is CC(C)[C@@H]1OCCC[C@H]1Nc1cc(N2CCn3cnnc3C2)ncn1.
What is the InChIKey of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
The InChIKey is CRCSHQPSYBDMGG-DYVFJYSZSA-N. The full InChI is InChI=1S/C17H25N7O/c1-12(2)17-13(4-3-7-25-17)21-14-8-15(19-10-18-14)23-5-6-24-11-20-22-16(24)9-23/h8,10-13,17H,3-7,9H2,1-2H3,(H,18,19,21)/t13-,17+/m1/s1.
What are the key properties of 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine?
6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine has a molecular weight of 343.44 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-[(2S,3R)-2-propan-2-yloxan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 129331963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).