8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine

C14H18N8O — CID 138008409

IUPAC8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCOC1(c2nccn2C)CCN(c2nccn3nnnc23)CC1
InChIInChI=1S/C14H18N8O/c1-20-9-5-16-13(20)14(23-2)3-7-21(8-4-14)11-12-17-18-19-22(12)10-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyXJVMAVYANLYLQF-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.39
Rot. Bonds3

About 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine

8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (PubChem CID 138008409) has the molecular formula C14H18N8O and a molecular weight of 314.35 g/mol. Its IUPAC name is 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
PubChem CID138008409
Molecular FormulaC14H18N8O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine
SMILESCOC1(c2nccn2C)CCN(c2nccn3nnnc23)CC1
InChIInChI=1S/C14H18N8O/c1-20-9-5-16-13(20)14(23-2)3-7-21(8-4-14)11-12-17-18-19-22(12)10-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3
InChIKeyXJVMAVYANLYLQF-UHFFFAOYSA-N
XLogP0.39
TPSA86.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

ethane;2-(3-methoxypyrrolidin-3-yl)-1-methylimidazole
CID 178114894
1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]ethanone
CID 147910968
2-[[1-(tetrazolo[1,5-a]pyrazin-8-yl)piperidin-4-yl]methyl]benzoic acid
CID 154799535
4-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 138008269
N-[(2S)-1-fluoropropan-2-yl]tetrazolo[1,5-a]pyrazin-8-amine
CID 130677971
3-(3-but-3-ynyldiazirin-3-yl)-1-[3-methoxy-3-(1-methylimidazol-2-yl)azetidin-1-yl]propan-1-one
CID 166418106
4-fluoro-4-(1-methylimidazol-2-yl)-1-[4-(trifluoromethyl)phenyl]piperidine
CID 158998818
[(3aR,6aS)-3a-methyl-2-(tetrazolo[1,5-a]pyrazin-8-yl)-3,4,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(2-methyl-1,3-thiazol-5-yl)methanone
CID 136589406
[1-(1-methylimidazol-2-yl)cyclopropyl]methanamine
CID 82026897
1-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-4-methylpiperidin-4-ol
CID 104733153
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
4-(1-methylimidazol-2-yl)-1-(2-phenylpyrimidin-4-yl)piperidin-4-ol
CID 138008356

Frequently Asked Questions

What is the IUPAC name of 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The IUPAC name of 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine (CID 138008409) is 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine.
What is the SMILES notation for 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The canonical SMILES for 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is COC1(c2nccn2C)CCN(c2nccn3nnnc23)CC1.
What is the InChIKey of 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
The InChIKey is XJVMAVYANLYLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N8O/c1-20-9-5-16-13(20)14(23-2)3-7-21(8-4-14)11-12-17-18-19-22(12)10-6-15-11/h5-6,9-10H,3-4,7-8H2,1-2H3.
What are the key properties of 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine?
8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine has a molecular weight of 314.35 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-methoxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]tetrazolo[1,5-a]pyrazine is sourced from PubChem (CID 138008409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).