(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine

C10H16N4 — CID 176528561

IUPAC(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine
SMILES[H]/N=C1\N=CN/C(=C(/C=C)C(C)C)N1C
InChIInChI=1S/C10H16N4/c1-5-8(7(2)3)9-12-6-13-10(11)14(9)4/h5-7H,1H2,2-4H3,(H2,11,12,13)/b9-8+
InChIKeySYSFDLWJZZVYGE-CMDGGOBGSA-N
MW192.27 g/mol
LogP1.54
Rot. Bonds2

About (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine

(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine (PubChem CID 176528561) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine.

Molecular Properties

Compound Name(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine
PubChem CID176528561
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine
SMILES[H]/N=C1\N=CN/C(=C(/C=C)C(C)C)N1C
InChIInChI=1S/C10H16N4/c1-5-8(7(2)3)9-12-6-13-10(11)14(9)4/h5-7H,1H2,2-4H3,(H2,11,12,13)/b9-8+
InChIKeySYSFDLWJZZVYGE-CMDGGOBGSA-N
XLogP1.54
TPSA51.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine?
The IUPAC name of (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine (CID 176528561) is (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine.
What is the SMILES notation for (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine?
The canonical SMILES for (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine is [H]/N=C1\N=CN/C(=C(/C=C)C(C)C)N1C.
What is the InChIKey of (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine?
The InChIKey is SYSFDLWJZZVYGE-CMDGGOBGSA-N. The full InChI is InChI=1S/C10H16N4/c1-5-8(7(2)3)9-12-6-13-10(11)14(9)4/h5-7H,1H2,2-4H3,(H2,11,12,13)/b9-8+.
What are the key properties of (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine?
(2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine has a molecular weight of 192.27 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-(4-methylpent-1-en-3-ylidene)-1H-1,3,5-triazin-4-imine is sourced from PubChem (CID 176528561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).