N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine

C9H17N4+ — CID 161158117

IUPACN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine
SMILESC=CNC1=[NH+]CN(C(C)C)C(=C)N1
InChIInChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12)/p+1
InChIKeyUPOIFWVVUYCVMC-UHFFFAOYSA-O
MW181.26 g/mol
LogP-1.10
Rot. Bonds2

About N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine

N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine (PubChem CID 161158117) has the molecular formula C9H17N4+ and a molecular weight of 181.26 g/mol. Its IUPAC name is N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine.

Molecular Properties

Compound NameN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine
PubChem CID161158117
Molecular FormulaC9H17N4+
Molecular Weight181.26 g/mol
Exact Mass181.14
IUPAC NameN-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine
SMILESC=CNC1=[NH+]CN(C(C)C)C(=C)N1
InChIInChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12)/p+1
InChIKeyUPOIFWVVUYCVMC-UHFFFAOYSA-O
XLogP-1.10
TPSA41.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.26
LogP ≤ 5-1.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine?
The IUPAC name of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine (CID 161158117) is N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine.
What is the SMILES notation for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine?
The canonical SMILES for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine is C=CNC1=[NH+]CN(C(C)C)C(=C)N1.
What is the InChIKey of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine?
The InChIKey is UPOIFWVVUYCVMC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N4/c1-5-10-9-11-6-13(7(2)3)8(4)12-9/h5,7H,1,4,6H2,2-3H3,(H2,10,11,12)/p+1.
What are the key properties of N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine?
N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine has a molecular weight of 181.26 g/mol, XLogP of -1.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-6-methylidene-5-propan-2-yl-1,4-dihydro-1,3,5-triazin-3-ium-2-amine is sourced from PubChem (CID 161158117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).