[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone

C19H20N6O2 — CID 31188652

IUPAC[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)nc2n1
InChIInChI=1S/C19H20N6O2/c1-13-12-14(2)25-19(20-13)21-16(22-25)18(27)24-10-8-23(9-11-24)17(26)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyVMLDWQVBYFLALQ-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.34
Rot. Bonds2

About [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone

[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone (PubChem CID 31188652) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
PubChem CID31188652
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC Name[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone
SMILESCc1cc(C)n2nc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)nc2n1
InChIInChI=1S/C19H20N6O2/c1-13-12-14(2)25-19(20-13)21-16(22-25)18(27)24-10-8-23(9-11-24)17(26)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3
InChIKeyVMLDWQVBYFLALQ-UHFFFAOYSA-N
XLogP1.34
TPSA83.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone (CID 31188652) is [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone is Cc1cc(C)n2nc(C(=O)N3CCN(C(=O)c4ccccc4)CC3)nc2n1.
What is the InChIKey of [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone?
The InChIKey is VMLDWQVBYFLALQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-13-12-14(2)25-19(20-13)21-16(22-25)18(27)24-10-8-23(9-11-24)17(26)15-6-4-3-5-7-15/h3-7,12H,8-11H2,1-2H3.
What are the key properties of [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone?
[4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone has a molecular weight of 364.41 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 31188652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).