6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

C16H23N7O — CID 69482107

IUPAC6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1n[nH]c(C)c1CCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12
InChIInChI=1S/C16H23N7O/c1-9-11(10(2)20-19-9)6-7-17-13-14-21-22-15(24)23(14)8-12(18-13)16(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H,19,20)(H,22,24)
InChIKeyDMAJKRPNGQVWBN-UHFFFAOYSA-N
MW329.41 g/mol
LogP1.71
Rot. Bonds4

About 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one

6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (PubChem CID 69482107) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
PubChem CID69482107
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one
SMILESCc1n[nH]c(C)c1CCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12
InChIInChI=1S/C16H23N7O/c1-9-11(10(2)20-19-9)6-7-17-13-14-21-22-15(24)23(14)8-12(18-13)16(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H,19,20)(H,22,24)
InChIKeyDMAJKRPNGQVWBN-UHFFFAOYSA-N
XLogP1.71
TPSA103.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 51.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The IUPAC name of 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one (CID 69482107) is 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one.
What is the SMILES notation for 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The canonical SMILES for 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is Cc1n[nH]c(C)c1CCNc1nc(C(C)(C)C)cn2c(=O)[nH]nc12.
What is the InChIKey of 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
The InChIKey is DMAJKRPNGQVWBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N7O/c1-9-11(10(2)20-19-9)6-7-17-13-14-21-22-15(24)23(14)8-12(18-13)16(3,4)5/h8H,6-7H2,1-5H3,(H,17,18)(H,19,20)(H,22,24).
What are the key properties of 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one?
6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one has a molecular weight of 329.41 g/mol, XLogP of 1.71, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-8-[2-(3,5-dimethyl-1H-pyrazol-4-yl)ethylamino]-2H-[1,2,4]triazolo[4,3-a]pyrazin-3-one is sourced from PubChem (CID 69482107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).