7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

C16H19N7O — CID 97471195

IUPAC7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ncccc1CN1CCn2c(Cn3cncn3)cnc2C1
InChIInChI=1S/C16H19N7O/c1-24-16-13(3-2-4-18-16)8-21-5-6-23-14(7-19-15(23)10-21)9-22-12-17-11-20-22/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyZPKJIRJFCAYNNM-UHFFFAOYSA-N
MW325.38 g/mol
LogP0.94
Rot. Bonds5

About 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine

7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (PubChem CID 97471195) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
PubChem CID97471195
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
SMILESCOc1ncccc1CN1CCn2c(Cn3cncn3)cnc2C1
InChIInChI=1S/C16H19N7O/c1-24-16-13(3-2-4-18-16)8-21-5-6-23-14(7-19-15(23)10-21)9-22-12-17-11-20-22/h2-4,7,11-12H,5-6,8-10H2,1H3
InChIKeyZPKJIRJFCAYNNM-UHFFFAOYSA-N
XLogP0.94
TPSA73.89 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

7-(thiophen-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471187
7-(furan-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471186
7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746706
7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384428
1-[(2-methoxy-3-pyridinyl)methyl]piperazine
CID 22032016
cyclopent-3-en-1-yl-[3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97471216
6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-amine
CID 24913806
3-[[4-(bromomethyl)piperidin-1-yl]methyl]-2-methoxypyridine
CID 80676486
1-(2-bromoethyl)-4-[(2-methoxy-3-pyridinyl)methyl]-1,4-diazepane
CID 80667519
1-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carbaldehyde
CID 22678407
2-tert-butyl-6-[(2-methoxy-3-pyridinyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 24913802
4-[[4-[(2-methoxy-3-pyridinyl)methyl]piperazin-1-yl]methyl]-1,3-thiazole
CID 136537455

Frequently Asked Questions

What is the IUPAC name of 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The IUPAC name of 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine (CID 97471195) is 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine.
What is the SMILES notation for 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The canonical SMILES for 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is COc1ncccc1CN1CCn2c(Cn3cncn3)cnc2C1.
What is the InChIKey of 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
The InChIKey is ZPKJIRJFCAYNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O/c1-24-16-13(3-2-4-18-16)8-21-5-6-23-14(7-19-15(23)10-21)9-22-12-17-11-20-22/h2-4,7,11-12H,5-6,8-10H2,1H3.
What are the key properties of 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine?
7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine has a molecular weight of 325.38 g/mol, XLogP of 0.94, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-methoxy-3-pyridinyl)methyl]-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine is sourced from PubChem (CID 97471195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).