1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one

C17H26N8O — CID 56870607

IUPAC1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)n[nH]1
InChIInChI=1S/C17H26N8O/c1-11-18-14(22-21-11)6-7-15(26)25-9-8-12-13(10-25)19-17(24(4)5)20-16(12)23(2)3/h6-10H2,1-5H3,(H,18,21,22)
InChIKeyPZEBJZBGCLQNDD-UHFFFAOYSA-N
MW358.45 g/mol
LogP0.55
Rot. Bonds5

About 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one

1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one (PubChem CID 56870607) has the molecular formula C17H26N8O and a molecular weight of 358.45 g/mol. Its IUPAC name is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one.

Molecular Properties

Compound Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
PubChem CID56870607
Molecular FormulaC17H26N8O
Molecular Weight358.45 g/mol
Exact Mass358.22
IUPAC Name1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one
SMILESCc1nc(CCC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)n[nH]1
InChIInChI=1S/C17H26N8O/c1-11-18-14(22-21-11)6-7-15(26)25-9-8-12-13(10-25)19-17(24(4)5)20-16(12)23(2)3/h6-10H2,1-5H3,(H,18,21,22)
InChIKeyPZEBJZBGCLQNDD-UHFFFAOYSA-N
XLogP0.55
TPSA94.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one?
The IUPAC name of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one (CID 56870607) is 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one.
What is the SMILES notation for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one?
The canonical SMILES for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one is Cc1nc(CCC(=O)N2CCc3c(nc(N(C)C)nc3N(C)C)C2)n[nH]1.
What is the InChIKey of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one?
The InChIKey is PZEBJZBGCLQNDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N8O/c1-11-18-14(22-21-11)6-7-15(26)25-9-8-12-13(10-25)19-17(24(4)5)20-16(12)23(2)3/h6-10H2,1-5H3,(H,18,21,22).
What are the key properties of 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one?
1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one has a molecular weight of 358.45 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-bis(dimethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)propan-1-one is sourced from PubChem (CID 56870607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).