N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine

C14H18N4 — CID 83063866

IUPACN'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
SMILESCc1nccnc1N(CCCN)c1ccccc1
InChIInChI=1S/C14H18N4/c1-12-14(17-10-9-16-12)18(11-5-8-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,15H2,1H3
InChIKeyZFMYBNVTBBTUEW-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.27
Rot. Bonds5

About N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine

N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine (PubChem CID 83063866) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
PubChem CID83063866
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine
SMILESCc1nccnc1N(CCCN)c1ccccc1
InChIInChI=1S/C14H18N4/c1-12-14(17-10-9-16-12)18(11-5-8-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,15H2,1H3
InChIKeyZFMYBNVTBBTUEW-UHFFFAOYSA-N
XLogP2.27
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine?
The IUPAC name of N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine (CID 83063866) is N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine?
The canonical SMILES for N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine is Cc1nccnc1N(CCCN)c1ccccc1.
What is the InChIKey of N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine?
The InChIKey is ZFMYBNVTBBTUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-12-14(17-10-9-16-12)18(11-5-8-15)13-6-3-2-4-7-13/h2-4,6-7,9-10H,5,8,11,15H2,1H3.
What are the key properties of N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine?
N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpyrazin-2-yl)-N'-phenylpropane-1,3-diamine is sourced from PubChem (CID 83063866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).