N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

C12H17N7O2 — CID 136567710

IUPACN-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1cc(C2(CNC(=O)Cn3cnnn3)CCCO2)cn1
InChIInChI=1S/C12H17N7O2/c1-18-6-10(5-15-18)12(3-2-4-21-12)8-13-11(20)7-19-9-14-16-17-19/h5-6,9H,2-4,7-8H2,1H3,(H,13,20)
InChIKeyARBAPYNURXNZSW-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.77
Rot. Bonds5

About N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide

N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 136567710) has the molecular formula C12H17N7O2 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
PubChem CID136567710
Molecular FormulaC12H17N7O2
Molecular Weight291.31 g/mol
Exact Mass291.14
IUPAC NameN-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide
SMILESCn1cc(C2(CNC(=O)Cn3cnnn3)CCCO2)cn1
InChIInChI=1S/C12H17N7O2/c1-18-6-10(5-15-18)12(3-2-4-21-12)8-13-11(20)7-19-9-14-16-17-19/h5-6,9H,2-4,7-8H2,1H3,(H,13,20)
InChIKeyARBAPYNURXNZSW-UHFFFAOYSA-N
XLogP-0.77
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide (CID 136567710) is N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is Cn1cc(C2(CNC(=O)Cn3cnnn3)CCCO2)cn1.
What is the InChIKey of N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is ARBAPYNURXNZSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-18-6-10(5-15-18)12(3-2-4-21-12)8-13-11(20)7-19-9-14-16-17-19/h5-6,9H,2-4,7-8H2,1H3,(H,13,20).
What are the key properties of N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide?
N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 291.31 g/mol, XLogP of -0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 136567710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).