N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine

C14H14N4O — CID 134712219

IUPACN-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine
SMILESCOc1ccc2[nH]c(CNc3cnccn3)cc2c1
InChIInChI=1S/C14H14N4O/c1-19-12-2-3-13-10(7-12)6-11(18-13)8-17-14-9-15-4-5-16-14/h2-7,9,18H,8H2,1H3,(H,16,17)
InChIKeyBKFPWKNJLXQEQB-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.58
Rot. Bonds4

About N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine

N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine (PubChem CID 134712219) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine
PubChem CID134712219
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine
SMILESCOc1ccc2[nH]c(CNc3cnccn3)cc2c1
InChIInChI=1S/C14H14N4O/c1-19-12-2-3-13-10(7-12)6-11(18-13)8-17-14-9-15-4-5-16-14/h2-7,9,18H,8H2,1H3,(H,16,17)
InChIKeyBKFPWKNJLXQEQB-UHFFFAOYSA-N
XLogP2.58
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine?
The IUPAC name of N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine (CID 134712219) is N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine.
What is the SMILES notation for N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine?
The canonical SMILES for N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine is COc1ccc2[nH]c(CNc3cnccn3)cc2c1.
What is the InChIKey of N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine?
The InChIKey is BKFPWKNJLXQEQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-19-12-2-3-13-10(7-12)6-11(18-13)8-17-14-9-15-4-5-16-14/h2-7,9,18H,8H2,1H3,(H,16,17).
What are the key properties of N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine?
N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine has a molecular weight of 254.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1H-indol-2-yl)methyl]pyrazin-2-amine is sourced from PubChem (CID 134712219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).