[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine

C11H17N7 — CID 114961729

IUPAC[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(c2cncc3nnnn23)CC1CN
InChIInChI=1S/C11H17N7/c1-8-2-3-17(7-9(8)4-12)11-6-13-5-10-14-15-16-18(10)11/h5-6,8-9H,2-4,7,12H2,1H3
InChIKeyJZYPLAZPCCTMIE-UHFFFAOYSA-N
MW247.31 g/mol
LogP-0.06
Rot. Bonds2

About [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine

[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine (PubChem CID 114961729) has the molecular formula C11H17N7 and a molecular weight of 247.31 g/mol. Its IUPAC name is [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine
PubChem CID114961729
Molecular FormulaC11H17N7
Molecular Weight247.31 g/mol
Exact Mass247.15
IUPAC Name[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine
SMILESCC1CCN(c2cncc3nnnn23)CC1CN
InChIInChI=1S/C11H17N7/c1-8-2-3-17(7-9(8)4-12)11-6-13-5-10-14-15-16-18(10)11/h5-6,8-9H,2-4,7,12H2,1H3
InChIKeyJZYPLAZPCCTMIE-UHFFFAOYSA-N
XLogP-0.06
TPSA85.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.31
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine?
The IUPAC name of [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine (CID 114961729) is [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine is CC1CCN(c2cncc3nnnn23)CC1CN.
What is the InChIKey of [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine?
The InChIKey is JZYPLAZPCCTMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7/c1-8-2-3-17(7-9(8)4-12)11-6-13-5-10-14-15-16-18(10)11/h5-6,8-9H,2-4,7,12H2,1H3.
What are the key properties of [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine?
[4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine has a molecular weight of 247.31 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-1-(tetrazolo[1,5-a]pyrazin-5-yl)piperidin-3-yl]methanamine is sourced from PubChem (CID 114961729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).