7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

C17H20N8O2 — CID 70713180

IUPAC7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCC3CCN(c4cnn(C)c(=O)c4)C3)nnc2n1
InChIInChI=1S/C17H20N8O2/c1-11-3-6-25-15(21-22-17(25)20-11)16(27)18-8-12-4-5-24(10-12)13-7-14(26)23(2)19-9-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,18,27)
InChIKeyBGSQOYPUQLTDGP-UHFFFAOYSA-N
MW368.40 g/mol
LogP-0.22
Rot. Bonds4

About 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide

7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (PubChem CID 70713180) has the molecular formula C17H20N8O2 and a molecular weight of 368.40 g/mol. Its IUPAC name is 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
PubChem CID70713180
Molecular FormulaC17H20N8O2
Molecular Weight368.40 g/mol
Exact Mass368.17
IUPAC Name7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(C(=O)NCC3CCN(c4cnn(C)c(=O)c4)C3)nnc2n1
InChIInChI=1S/C17H20N8O2/c1-11-3-6-25-15(21-22-17(25)20-11)16(27)18-8-12-4-5-24(10-12)13-7-14(26)23(2)19-9-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,18,27)
InChIKeyBGSQOYPUQLTDGP-UHFFFAOYSA-N
XLogP-0.22
TPSA110.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 5-0.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The IUPAC name of 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide (CID 70713180) is 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The canonical SMILES for 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is Cc1ccn2c(C(=O)NCC3CCN(c4cnn(C)c(=O)c4)C3)nnc2n1.
What is the InChIKey of 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
The InChIKey is BGSQOYPUQLTDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O2/c1-11-3-6-25-15(21-22-17(25)20-11)16(27)18-8-12-4-5-24(10-12)13-7-14(26)23(2)19-9-13/h3,6-7,9,12H,4-5,8,10H2,1-2H3,(H,18,27).
What are the key properties of 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide?
7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide has a molecular weight of 368.40 g/mol, XLogP of -0.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-N-[[1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-[1,2,4]triazolo[4,3-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 70713180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).