(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

C15H20N6O — CID 163313636

IUPAC(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3cc(C4CC4)[nH]n3)n2[C@H](C)C1=O
InChIInChI=1S/C15H20N6O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)12-7-11(16-17-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyKXHPYTMCRIZAQK-SECBINFHSA-N
MW300.37 g/mol
LogP1.86
Rot. Bonds4

About (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one

(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (PubChem CID 163313636) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.

Molecular Properties

Compound Name(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
PubChem CID163313636
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one
SMILESCCCN1Cc2nnc(-c3cc(C4CC4)[nH]n3)n2[C@H](C)C1=O
InChIInChI=1S/C15H20N6O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)12-7-11(16-17-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1
InChIKeyKXHPYTMCRIZAQK-SECBINFHSA-N
XLogP1.86
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The IUPAC name of (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one (CID 163313636) is (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one.
What is the SMILES notation for (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The canonical SMILES for (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is CCCN1Cc2nnc(-c3cc(C4CC4)[nH]n3)n2[C@H](C)C1=O.
What is the InChIKey of (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
The InChIKey is KXHPYTMCRIZAQK-SECBINFHSA-N. The full InChI is InChI=1S/C15H20N6O/c1-3-6-20-8-13-18-19-14(21(13)9(2)15(20)22)12-7-11(16-17-12)10-4-5-10/h7,9-10H,3-6,8H2,1-2H3,(H,16,17)/t9-/m1/s1.
What are the key properties of (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one?
(5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one has a molecular weight of 300.37 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(5-cyclopropyl-1H-pyrazol-3-yl)-5-methyl-7-propyl-5,8-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-6-one is sourced from PubChem (CID 163313636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).