6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone

C19H26N6O — CID 127303204

IUPAC6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
SMILESCC(C)N1CCN(c2ccc(C(=O)N3CCn4cnnc4C3)cc2)CC1
InChIInChI=1S/C19H26N6O/c1-15(2)22-7-9-23(10-8-22)17-5-3-16(4-6-17)19(26)24-11-12-25-14-20-21-18(25)13-24/h3-6,14-15H,7-13H2,1-2H3
InChIKeyPBBGKIWFFQTCBQ-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.46
Rot. Bonds3

About 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone (PubChem CID 127303204) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone.

Molecular Properties

Compound Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
PubChem CID127303204
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
SMILESCC(C)N1CCN(c2ccc(C(=O)N3CCn4cnnc4C3)cc2)CC1
InChIInChI=1S/C19H26N6O/c1-15(2)22-7-9-23(10-8-22)17-5-3-16(4-6-17)19(26)24-11-12-25-14-20-21-18(25)13-24/h3-6,14-15H,7-13H2,1-2H3
InChIKeyPBBGKIWFFQTCBQ-UHFFFAOYSA-N
XLogP1.46
TPSA57.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[3-methyl-4-(methylamino)phenyl]methanone
CID 64575489
(3-amino-4-chlorophenyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64583723
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-(2-sulfanylphenyl)methanone
CID 107030887
(2-amino-4-pyridinyl)-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)methanone
CID 64576833
(3-aminopiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119381756
[3-(methylamino)piperidin-1-yl]-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 119493758
methyl 4-(4-propan-2-ylpiperazin-1-yl)benzoate
CID 69129778
(4-methylsulfanylphenyl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone
CID 166135522
1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-4-hydroxypentan-1-one
CID 79193296
(2S)-2-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonylamino)propanoic acid
CID 64575080
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone;dihydrochloride
CID 120817158
4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3-(trifluoromethyl)benzoic acid
CID 167785105

Frequently Asked Questions

What is the IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The IUPAC name of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone (CID 127303204) is 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone.
What is the SMILES notation for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The canonical SMILES for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone is CC(C)N1CCN(c2ccc(C(=O)N3CCn4cnnc4C3)cc2)CC1.
What is the InChIKey of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
The InChIKey is PBBGKIWFFQTCBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-15(2)22-7-9-23(10-8-22)17-5-3-16(4-6-17)19(26)24-11-12-25-14-20-21-18(25)13-24/h3-6,14-15H,7-13H2,1-2H3.
What are the key properties of 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone?
6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone has a molecular weight of 354.46 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]methanone is sourced from PubChem (CID 127303204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).