3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

C12H18N6O — CID 72893917

IUPAC3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCOc1nccnc1N(C)Cc1nncn1C(C)C
InChIInChI=1S/C12H18N6O/c1-9(2)18-8-15-16-10(18)7-17(3)11-12(19-4)14-6-5-13-11/h5-6,8-9H,7H2,1-4H3
InChIKeyHCFBXWIVBPJJID-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.29
Rot. Bonds5

About 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine

3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (PubChem CID 72893917) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
PubChem CID72893917
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine
SMILESCOc1nccnc1N(C)Cc1nncn1C(C)C
InChIInChI=1S/C12H18N6O/c1-9(2)18-8-15-16-10(18)7-17(3)11-12(19-4)14-6-5-13-11/h5-6,8-9H,7H2,1-4H3
InChIKeyHCFBXWIVBPJJID-UHFFFAOYSA-N
XLogP1.29
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The IUPAC name of 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine (CID 72893917) is 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The canonical SMILES for 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is COc1nccnc1N(C)Cc1nncn1C(C)C.
What is the InChIKey of 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
The InChIKey is HCFBXWIVBPJJID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(2)18-8-15-16-10(18)7-17(3)11-12(19-4)14-6-5-13-11/h5-6,8-9H,7H2,1-4H3.
What are the key properties of 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine?
3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine has a molecular weight of 262.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-methyl-N-[(4-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 72893917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).