(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine

C8H16N4 — CID 178060940

IUPAC(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine
SMILESCNC/C(N)=C/C1=NCCNC1
InChIInChI=1S/C8H16N4/c1-10-5-7(9)4-8-6-11-2-3-12-8/h4,10-11H,2-3,5-6,9H2,1H3/b7-4-
InChIKeyWBXPTBOAJKZNKK-DAXSKMNVSA-N
MW168.24 g/mol
LogP-0.91
Rot. Bonds3

About (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine

(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine (PubChem CID 178060940) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine.

Molecular Properties

Compound Name(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine
PubChem CID178060940
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine
SMILESCNC/C(N)=C/C1=NCCNC1
InChIInChI=1S/C8H16N4/c1-10-5-7(9)4-8-6-11-2-3-12-8/h4,10-11H,2-3,5-6,9H2,1H3/b7-4-
InChIKeyWBXPTBOAJKZNKK-DAXSKMNVSA-N
XLogP-0.91
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine?
The IUPAC name of (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine (CID 178060940) is (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine.
What is the SMILES notation for (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine?
The canonical SMILES for (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine is CNC/C(N)=C/C1=NCCNC1.
What is the InChIKey of (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine?
The InChIKey is WBXPTBOAJKZNKK-DAXSKMNVSA-N. The full InChI is InChI=1S/C8H16N4/c1-10-5-7(9)4-8-6-11-2-3-12-8/h4,10-11H,2-3,5-6,9H2,1H3/b7-4-.
What are the key properties of (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine?
(Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.91, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-methyl-3-(1,2,3,6-tetrahydropyrazin-5-yl)prop-2-ene-1,2-diamine is sourced from PubChem (CID 178060940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).