N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine

C20H16N8 — CID 46929347

IUPACN-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
SMILESCc1cnc(CNc2ncc3c(n2)-c2cccnc2Nc2cnccc2-3)cn1
InChIInChI=1S/C20H16N8/c1-12-7-24-13(8-23-12)9-25-20-26-10-16-14-4-6-21-11-17(14)27-19-15(18(16)28-20)3-2-5-22-19/h2-8,10-11H,9H2,1H3,(H,22,27)(H,25,26,28)
InChIKeyVOTCKRGXMULXPT-UHFFFAOYSA-N
MW368.40 g/mol
LogP3.37
Rot. Bonds3

About N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine

N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine (PubChem CID 46929347) has the molecular formula C20H16N8 and a molecular weight of 368.40 g/mol. Its IUPAC name is N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine.

Molecular Properties

Compound NameN-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
PubChem CID46929347
Molecular FormulaC20H16N8
Molecular Weight368.40 g/mol
Exact Mass368.15
IUPAC NameN-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine
SMILESCc1cnc(CNc2ncc3c(n2)-c2cccnc2Nc2cnccc2-3)cn1
InChIInChI=1S/C20H16N8/c1-12-7-24-13(8-23-12)9-25-20-26-10-16-14-4-6-21-11-17(14)27-19-15(18(16)28-20)3-2-5-22-19/h2-8,10-11H,9H2,1H3,(H,22,27)(H,25,26,28)
InChIKeyVOTCKRGXMULXPT-UHFFFAOYSA-N
XLogP3.37
TPSA101.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.40
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The IUPAC name of N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine (CID 46929347) is N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine.
What is the SMILES notation for N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The canonical SMILES for N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine is Cc1cnc(CNc2ncc3c(n2)-c2cccnc2Nc2cnccc2-3)cn1.
What is the InChIKey of N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
The InChIKey is VOTCKRGXMULXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N8/c1-12-7-24-13(8-23-12)9-25-20-26-10-16-14-4-6-21-11-17(14)27-19-15(18(16)28-20)3-2-5-22-19/h2-8,10-11H,9H2,1H3,(H,22,27)(H,25,26,28).
What are the key properties of N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine?
N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine has a molecular weight of 368.40 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylpyrazin-2-yl)methyl]-3,5,11,14,16-pentazatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2,4,6,8(13),9,11,16,18-nonaen-4-amine is sourced from PubChem (CID 46929347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).