1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine

C19H17N9 — CID 58225634

IUPAC1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine
SMILESc1cnc(CN(Cc2cnccn2)C(c2cnccn2)c2cnccn2)cn1
InChIInChI=1S/C19H17N9/c1-5-24-15(9-20-1)13-28(14-16-10-21-2-6-25-16)19(17-11-22-3-7-26-17)18-12-23-4-8-27-18/h1-12,19H,13-14H2
InChIKeyCFBQHZJJFHHYBI-UHFFFAOYSA-N
MW371.41 g/mol
LogP1.64
Rot. Bonds7

About 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine

1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine (PubChem CID 58225634) has the molecular formula C19H17N9 and a molecular weight of 371.41 g/mol. Its IUPAC name is 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine
PubChem CID58225634
Molecular FormulaC19H17N9
Molecular Weight371.41 g/mol
Exact Mass371.16
IUPAC Name1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine
SMILESc1cnc(CN(Cc2cnccn2)C(c2cnccn2)c2cnccn2)cn1
InChIInChI=1S/C19H17N9/c1-5-24-15(9-20-1)13-28(14-16-10-21-2-6-25-16)19(17-11-22-3-7-26-17)18-12-23-4-8-27-18/h1-12,19H,13-14H2
InChIKeyCFBQHZJJFHHYBI-UHFFFAOYSA-N
XLogP1.64
TPSA106.36 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine (CID 58225634) is 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine is c1cnc(CN(Cc2cnccn2)C(c2cnccn2)c2cnccn2)cn1.
What is the InChIKey of 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine?
The InChIKey is CFBQHZJJFHHYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N9/c1-5-24-15(9-20-1)13-28(14-16-10-21-2-6-25-16)19(17-11-22-3-7-26-17)18-12-23-4-8-27-18/h1-12,19H,13-14H2.
What are the key properties of 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine?
1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine has a molecular weight of 371.41 g/mol, XLogP of 1.64, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-di(pyrazin-2-yl)-N,N-bis(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 58225634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).