3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine

C9H17N5 — CID 114788042

IUPAC3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCc1nnc(NC(C)CCN)nc1C
InChIInChI=1S/C9H17N5/c1-6(4-5-10)11-9-12-7(2)8(3)13-14-9/h6H,4-5,10H2,1-3H3,(H,11,12,14)
InChIKeyDBRZKKBHWMPYAY-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.64
Rot. Bonds4

About 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine

3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (PubChem CID 114788042) has the molecular formula C9H17N5 and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
PubChem CID114788042
Molecular FormulaC9H17N5
Molecular Weight195.27 g/mol
Exact Mass195.15
IUPAC Name3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine
SMILESCc1nnc(NC(C)CCN)nc1C
InChIInChI=1S/C9H17N5/c1-6(4-5-10)11-9-12-7(2)8(3)13-14-9/h6H,4-5,10H2,1-3H3,(H,11,12,14)
InChIKeyDBRZKKBHWMPYAY-UHFFFAOYSA-N
XLogP0.64
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The IUPAC name of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine (CID 114788042) is 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is Cc1nnc(NC(C)CCN)nc1C.
What is the InChIKey of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
The InChIKey is DBRZKKBHWMPYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N5/c1-6(4-5-10)11-9-12-7(2)8(3)13-14-9/h6H,4-5,10H2,1-3H3,(H,11,12,14).
What are the key properties of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine?
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine has a molecular weight of 195.27 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)butane-1,3-diamine is sourced from PubChem (CID 114788042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).