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

C8H14N4 — CID 83064699

IUPACN'-(3-methylpyrazin-2-yl)propane-1,3-diamine
SMILESCc1nccnc1NCCCN
InChIInChI=1S/C8H14N4/c1-7-8(11-4-2-3-9)12-6-5-10-7/h5-6H,2-4,9H2,1H3,(H,11,12)
InChIKeyNRNUIDNKZOHYBD-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.55
Rot. Bonds4

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

N'-(3-methylpyrazin-2-yl)propane-1,3-diamine (PubChem CID 83064699) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is N'-(3-methylpyrazin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-methylpyrazin-2-yl)propane-1,3-diamine
PubChem CID83064699
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC NameN'-(3-methylpyrazin-2-yl)propane-1,3-diamine
SMILESCc1nccnc1NCCCN
InChIInChI=1S/C8H14N4/c1-7-8(11-4-2-3-9)12-6-5-10-7/h5-6H,2-4,9H2,1H3,(H,11,12)
InChIKeyNRNUIDNKZOHYBD-UHFFFAOYSA-N
XLogP0.55
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(4-methoxybutyl)-3-methylpyrazin-2-amine
CID 83063291
ethyl 4-[(3-methylpyrazin-2-yl)amino]butanoate
CID 83062864
3-methyl-N-(3,3,3-trifluoropropyl)pyrazin-2-amine
CID 83064931
N'-(3-methyl-2-pyridinyl)hexane-1,6-diamine
CID 107844649
N-(2-ethoxyethyl)-3-methylpyrazin-2-amine
CID 83064556
1-N-(3-aminopropyl)-7-methylisoquinoline-1,5-diamine
CID 82570383
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375
3-methyl-N-(pyridin-4-ylmethyl)pyrazin-2-amine
CID 83063577
N-[2-(azepan-1-yl)ethyl]-3-methylpyrazin-2-amine
CID 83064744
N'-(5-bromo-3-methyl-2-pyridinyl)propane-1,3-diamine
CID 14397364
N-[3-(benzotriazol-1-yl)propyl]-3-methylpyrazin-2-amine
CID 46991221
3-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazin-2-amine
CID 83064425

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylpyrazin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(3-methylpyrazin-2-yl)propane-1,3-diamine (CID 83064699) is N'-(3-methylpyrazin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(3-methylpyrazin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(3-methylpyrazin-2-yl)propane-1,3-diamine is Cc1nccnc1NCCCN.
What is the InChIKey of N'-(3-methylpyrazin-2-yl)propane-1,3-diamine?
The InChIKey is NRNUIDNKZOHYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-7-8(11-4-2-3-9)12-6-5-10-7/h5-6H,2-4,9H2,1H3,(H,11,12).
What are the key properties of N'-(3-methylpyrazin-2-yl)propane-1,3-diamine?
N'-(3-methylpyrazin-2-yl)propane-1,3-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylpyrazin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83064699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).