N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

C11H14N8 — CID 79033902

IUPACN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCc1nn(C)c(C)c1CNc1cncc2nnnn12
InChIInChI=1S/C11H14N8/c1-7-9(8(2)18(3)15-7)4-13-10-5-12-6-11-14-16-17-19(10)11/h5-6,13H,4H2,1-3H3
InChIKeyFXPCATSZUCGEOB-UHFFFAOYSA-N
MW258.29 g/mol
LogP0.48
Rot. Bonds3

About N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine

N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (PubChem CID 79033902) has the molecular formula C11H14N8 and a molecular weight of 258.29 g/mol. Its IUPAC name is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.

Molecular Properties

Compound NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
PubChem CID79033902
Molecular FormulaC11H14N8
Molecular Weight258.29 g/mol
Exact Mass258.13
IUPAC NameN-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine
SMILESCc1nn(C)c(C)c1CNc1cncc2nnnn12
InChIInChI=1S/C11H14N8/c1-7-9(8(2)18(3)15-7)4-13-10-5-12-6-11-14-16-17-19(10)11/h5-6,13H,4H2,1-3H3
InChIKeyFXPCATSZUCGEOB-UHFFFAOYSA-N
XLogP0.48
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.29
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The IUPAC name of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine (CID 79033902) is N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine.
What is the SMILES notation for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The canonical SMILES for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is Cc1nn(C)c(C)c1CNc1cncc2nnnn12.
What is the InChIKey of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
The InChIKey is FXPCATSZUCGEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8/c1-7-9(8(2)18(3)15-7)4-13-10-5-12-6-11-14-16-17-19(10)11/h5-6,13H,4H2,1-3H3.
What are the key properties of N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine?
N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine has a molecular weight of 258.29 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3,5-trimethylpyrazol-4-yl)methyl]tetrazolo[1,5-a]pyrazin-5-amine is sourced from PubChem (CID 79033902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).