2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine

C9H17N5 — CID 131025734

IUPAC2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine
SMILESCc1ncc(NC(CN)CN)nc1C
InChIInChI=1S/C9H17N5/c1-6-7(2)13-9(5-12-6)14-8(3-10)4-11/h5,8H,3-4,10-11H2,1-2H3,(H,13,14)
InChIKeyLVEDWRHRLOHALK-UHFFFAOYSA-N
MW195.27 g/mol
LogP-0.21
Rot. Bonds4

About 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine

2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine (PubChem CID 131025734) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine.

Molecular Properties

Compound Name2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine
PubChem CID131025734
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine
SMILESCc1ncc(NC(CN)CN)nc1C
InChIInChI=1S/C9H17N5/c1-6-7(2)13-9(5-12-6)14-8(3-10)4-11/h5,8H,3-4,10-11H2,1-2H3,(H,13,14)
InChIKeyLVEDWRHRLOHALK-UHFFFAOYSA-N
XLogP-0.21
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 5-0.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine?
The IUPAC name of 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine (CID 131025734) is 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine.
What is the SMILES notation for 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine?
The canonical SMILES for 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine is Cc1ncc(NC(CN)CN)nc1C.
What is the InChIKey of 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine?
The InChIKey is LVEDWRHRLOHALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6-7(2)13-9(5-12-6)14-8(3-10)4-11/h5,8H,3-4,10-11H2,1-2H3,(H,13,14).
What are the key properties of 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine?
2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine has a molecular weight of 195.27 g/mol, XLogP of -0.21, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(5,6-dimethylpyrazin-2-yl)propane-1,2,3-triamine is sourced from PubChem (CID 131025734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).