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

C16H21N5O — CID 97405259

IUPAC7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1
InChIInChI=1S/C16H21N5O/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13/h1-2,5,8,13H,3-4,6-7,9-12H2
InChIKeyVQQDCPSSAISBPS-UHFFFAOYSA-N
MW299.38 g/mol
LogP1.62
Rot. Bonds6

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

7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 97405259) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

Compound Name7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
PubChem CID97405259
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
SMILESc1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1
InChIInChI=1S/C16H21N5O/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13/h1-2,5,8,13H,3-4,6-7,9-12H2
InChIKeyVQQDCPSSAISBPS-UHFFFAOYSA-N
XLogP1.62
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine with MolForge

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Related Compounds

3-[({1-[3-(4-methyl-4H-1,2,4-triazol-3-yl)propanoyl]-3-piperidinyl}oxy)methyl]pyridine
CID 70765358
(7R,8aS)-2-[(1-methylimidazol-2-yl)methyl]-7-(pyridin-3-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 97458398
7-(cyclopropylmethyl)-3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519124
7-(oxan-4-ylmethyl)-3-(pyridin-2-yloxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519125
7-(2-methylpropyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519148
3-(pyridin-3-ylmethoxymethyl)-7-(thiophen-3-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519150
3-(pyridin-3-ylmethoxymethyl)-7-(thiophen-2-ylmethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 97519152
2-[4-[4-Benzyl-5-(phenylmethoxymethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]pyridine
CID 10455876
7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746124
7-(2-methylpropyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746134
3-methyl-2-({1-[(4-methyl-4H-1,2,4-triazol-3-yl)methyl]piperidin-4-yl}methoxy)pyridine
CID 126872857
3-benzyl-7-(2-pyridin-2-yloxyethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine
CID 136561466

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The IUPAC name of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine (CID 97405259) is 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine.
What is the SMILES notation for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The canonical SMILES for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is c1cncc(COCc2nnc3n2CCN(CC2CC2)C3)c1.
What is the InChIKey of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
The InChIKey is VQQDCPSSAISBPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-2-14(8-17-5-1)11-22-12-16-19-18-15-10-20(6-7-21(15)16)9-13-3-4-13/h1-2,5,8,13H,3-4,6-7,9-12H2.
What are the key properties of 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine?
7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 299.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclopropylmethyl)-3-(pyridin-3-ylmethoxymethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 97405259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).