N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

C12H18N6O — CID 106960612

IUPACN-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CNC(C)C)o2)cn1
InChIInChI=1S/C12H18N6O/c1-8(2)13-7-11-17-18-12(19-11)16-6-10-5-14-9(3)4-15-10/h4-5,8,13H,6-7H2,1-3H3,(H,16,18)
InChIKeyVRBLNCRVZIUYIB-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.28
Rot. Bonds6

About N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine

N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960612) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960612
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cnc(CNc2nnc(CNC(C)C)o2)cn1
InChIInChI=1S/C12H18N6O/c1-8(2)13-7-11-17-18-12(19-11)16-6-10-5-14-9(3)4-15-10/h4-5,8,13H,6-7H2,1-3H3,(H,16,18)
InChIKeyVRBLNCRVZIUYIB-UHFFFAOYSA-N
XLogP1.28
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine (CID 106960612) is N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is Cc1cnc(CNc2nnc(CNC(C)C)o2)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VRBLNCRVZIUYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)13-7-11-17-18-12(19-11)16-6-10-5-14-9(3)4-15-10/h4-5,8,13H,6-7H2,1-3H3,(H,16,18).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine?
N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).