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

C12H23N5 — CID 106357713

IUPAC3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCc1nnc(NC(CCN)C(C)(C)C)nc1C
InChIInChI=1S/C12H23N5/c1-8-9(2)16-17-11(14-8)15-10(6-7-13)12(3,4)5/h10H,6-7,13H2,1-5H3,(H,14,15,17)
InChIKeyIYPKYKCNJDMJLP-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.66
Rot. Bonds4

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

3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine (PubChem CID 106357713) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine
PubChem CID106357713
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC Name3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine
SMILESCc1nnc(NC(CCN)C(C)(C)C)nc1C
InChIInChI=1S/C12H23N5/c1-8-9(2)16-17-11(14-8)15-10(6-7-13)12(3,4)5/h10H,6-7,13H2,1-5H3,(H,14,15,17)
InChIKeyIYPKYKCNJDMJLP-UHFFFAOYSA-N
XLogP1.66
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.66
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)-4,4-dimethylpentane-1,3-diamine?
The IUPAC name of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine (CID 106357713) is 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine.
What is the SMILES notation for 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine?
The canonical SMILES for 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine is Cc1nnc(NC(CCN)C(C)(C)C)nc1C.
What is the InChIKey of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine?
The InChIKey is IYPKYKCNJDMJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-8-9(2)16-17-11(14-8)15-10(6-7-13)12(3,4)5/h10H,6-7,13H2,1-5H3,(H,14,15,17).
What are the key properties of 3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine?
3-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4,4-dimethylpentane-1,3-diamine has a molecular weight of 237.35 g/mol, XLogP of 1.66, 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)-4,4-dimethylpentane-1,3-diamine is sourced from PubChem (CID 106357713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).