N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine

C5H12N4 — CID 54073486

IUPACN'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine
SMILESNCNC1=NCCNC1
InChIInChI=1S/C5H12N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-4,6H2,(H,8,9)
InChIKeyMIBYMSHYNBCKAR-UHFFFAOYSA-N
MW128.18 g/mol
LogP-1.51
Rot. Bonds1

About N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine

N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine (PubChem CID 54073486) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine.

Molecular Properties

Compound NameN'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine
PubChem CID54073486
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC NameN'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine
SMILESNCNC1=NCCNC1
InChIInChI=1S/C5H12N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-4,6H2,(H,8,9)
InChIKeyMIBYMSHYNBCKAR-UHFFFAOYSA-N
XLogP-1.51
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine?
The IUPAC name of N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine (CID 54073486) is N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine.
What is the SMILES notation for N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine?
The canonical SMILES for N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine is NCNC1=NCCNC1.
What is the InChIKey of N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine?
The InChIKey is MIBYMSHYNBCKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4/c6-4-9-5-3-7-1-2-8-5/h7H,1-4,6H2,(H,8,9).
What are the key properties of N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine?
N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine has a molecular weight of 128.18 g/mol, XLogP of -1.51, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,2,3,6-tetrahydropyrazin-5-yl)methanediamine is sourced from PubChem (CID 54073486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).