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

C16H18N6 — CID 134794397

IUPAC7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cccc1CN1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C16H18N6/c1-20-7-3-5-14(20)11-21-8-9-22-15(12-21)18-19-16(22)13-4-2-6-17-10-13/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHAPDQVKKWXSVMC-UHFFFAOYSA-N
MW294.36 g/mol
LogP1.69
Rot. Bonds3

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

7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 134794397) has the molecular formula C16H18N6 and a molecular weight of 294.36 g/mol. Its IUPAC name is 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID134794397
Molecular FormulaC16H18N6
Molecular Weight294.36 g/mol
Exact Mass294.16
IUPAC Name7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESCn1cccc1CN1CCn2c(nnc2-c2cccnc2)C1
InChIInChI=1S/C16H18N6/c1-20-7-3-5-14(20)11-21-8-9-22-15(12-21)18-19-16(22)13-4-2-6-17-10-13/h2-7,10H,8-9,11-12H2,1H3
InChIKeyHAPDQVKKWXSVMC-UHFFFAOYSA-N
XLogP1.69
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 134794397) is 7-[(1-methylpyrrol-2-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-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is Cn1cccc1CN1CCn2c(nnc2-c2cccnc2)C1.
What is the InChIKey of 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is HAPDQVKKWXSVMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6/c1-20-7-3-5-14(20)11-21-8-9-22-15(12-21)18-19-16(22)13-4-2-6-17-10-13/h2-7,10H,8-9,11-12H2,1H3.
What are the key properties of 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 294.36 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-methylpyrrol-2-yl)methyl]-3-pyridin-3-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 134794397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).