7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

C15H17N7 — CID 127721183

IUPAC7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1nccc1CN1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C15H17N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h2-6,9H,7-8,10-11H2,1H3
InChIKeyKUUJUPOWVOIMCT-UHFFFAOYSA-N
MW295.35 g/mol
LogP1.09
Rot. Bonds3

About 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine

7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 127721183) has the molecular formula C15H17N7 and a molecular weight of 295.35 g/mol. Its IUPAC name is 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID127721183
Molecular FormulaC15H17N7
Molecular Weight295.35 g/mol
Exact Mass295.15
IUPAC Name7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1nccc1CN1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C15H17N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h2-6,9H,7-8,10-11H2,1H3
InChIKeyKUUJUPOWVOIMCT-UHFFFAOYSA-N
XLogP1.09
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 127721183) is 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1nccc1CN1CCn2c(nnc2-c2cccnc2)C1.
What is the InChIKey of 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is KUUJUPOWVOIMCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7/c1-20-13(4-6-17-20)10-21-7-8-22-14(11-21)18-19-15(22)12-3-2-5-16-9-12/h2-6,9H,7-8,10-11H2,1H3.
What are the key properties of 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 295.35 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methylpyrazol-3-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 127721183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).