(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone

C16H19N7O2 — CID 129007915

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2cncc(N3CCN(C(=O)c4c(C)noc4C)CC3)n2n1
InChIInChI=1S/C16H19N7O2/c1-10-15(11(2)25-20-10)16(24)22-6-4-21(5-7-22)14-9-17-8-13-18-12(3)19-23(13)14/h8-9H,4-7H2,1-3H3
InChIKeySRNJKVHZNXQNSP-UHFFFAOYSA-N
MW341.38 g/mol
LogP1.00
Rot. Bonds2

About (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone (PubChem CID 129007915) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
PubChem CID129007915
Molecular FormulaC16H19N7O2
Molecular Weight341.38 g/mol
Exact Mass341.16
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone
SMILESCc1nc2cncc(N3CCN(C(=O)c4c(C)noc4C)CC3)n2n1
InChIInChI=1S/C16H19N7O2/c1-10-15(11(2)25-20-10)16(24)22-6-4-21(5-7-22)14-9-17-8-13-18-12(3)19-23(13)14/h8-9H,4-7H2,1-3H3
InChIKeySRNJKVHZNXQNSP-UHFFFAOYSA-N
XLogP1.00
TPSA92.66 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone (CID 129007915) is (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone is Cc1nc2cncc(N3CCN(C(=O)c4c(C)noc4C)CC3)n2n1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
The InChIKey is SRNJKVHZNXQNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-10-15(11(2)25-20-10)16(24)22-6-4-21(5-7-22)14-9-17-8-13-18-12(3)19-23(13)14/h8-9H,4-7H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone has a molecular weight of 341.38 g/mol, XLogP of 1.00, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[4-(2-methyl-[1,2,4]triazolo[1,5-a]pyrazin-5-yl)piperazin-1-yl]methanone is sourced from PubChem (CID 129007915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).