N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine

C20H15N7 — CID 166319969

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(Nc1ccc(Cc3ccncc3)cc1)c1nnnn12
InChIInChI=1S/C20H15N7/c1-2-4-18-17(3-1)23-19(20-24-25-26-27(18)20)22-16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H,22,23)
InChIKeyAKBHEIQXEOXRLH-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.40
Rot. Bonds4

About N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine

N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine (PubChem CID 166319969) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
PubChem CID166319969
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine
SMILESc1ccc2c(c1)nc(Nc1ccc(Cc3ccncc3)cc1)c1nnnn12
InChIInChI=1S/C20H15N7/c1-2-4-18-17(3-1)23-19(20-24-25-26-27(18)20)22-16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H,22,23)
InChIKeyAKBHEIQXEOXRLH-UHFFFAOYSA-N
XLogP3.40
TPSA80.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine (CID 166319969) is N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine is c1ccc2c(c1)nc(Nc1ccc(Cc3ccncc3)cc1)c1nnnn12.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine?
The InChIKey is AKBHEIQXEOXRLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-2-4-18-17(3-1)23-19(20-24-25-26-27(18)20)22-16-7-5-14(6-8-16)13-15-9-11-21-12-10-15/h1-12H,13H2,(H,22,23).
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine?
N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine has a molecular weight of 353.39 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]tetrazolo[1,5-a]quinoxalin-4-amine is sourced from PubChem (CID 166319969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).