(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine

C11H16N4 — CID 166782810

IUPAC(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine
SMILESC=C/C=c1/c(NC)c(N)c(N)n/c1=C/C
InChIInChI=1S/C11H16N4/c1-4-6-7-8(5-2)15-11(13)9(12)10(7)14-3/h4-6,14H,1,12H2,2-3H3,(H2,13,15)/b7-6+,8-5+
InChIKeyXYVLVNYDTNATKT-ZCOYIIAOSA-N
MW204.28 g/mol
LogP0.05
Rot. Bonds2

About (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine

(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine (PubChem CID 166782810) has the molecular formula C11H16N4 and a molecular weight of 204.28 g/mol. Its IUPAC name is (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine.

Molecular Properties

Compound Name(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine
PubChem CID166782810
Molecular FormulaC11H16N4
Molecular Weight204.28 g/mol
Exact Mass204.14
IUPAC Name(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine
SMILESC=C/C=c1/c(NC)c(N)c(N)n/c1=C/C
InChIInChI=1S/C11H16N4/c1-4-6-7-8(5-2)15-11(13)9(12)10(7)14-3/h4-6,14H,1,12H2,2-3H3,(H2,13,15)/b7-6+,8-5+
InChIKeyXYVLVNYDTNATKT-ZCOYIIAOSA-N
XLogP0.05
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.28
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The IUPAC name of (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine (CID 166782810) is (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine.
What is the SMILES notation for (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The canonical SMILES for (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine is C=C/C=c1/c(NC)c(N)c(N)n/c1=C/C.
What is the InChIKey of (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
The InChIKey is XYVLVNYDTNATKT-ZCOYIIAOSA-N. The full InChI is InChI=1S/C11H16N4/c1-4-6-7-8(5-2)15-11(13)9(12)10(7)14-3/h4-6,14H,1,12H2,2-3H3,(H2,13,15)/b7-6+,8-5+.
What are the key properties of (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine?
(5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine has a molecular weight of 204.28 g/mol, XLogP of 0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6E)-6-ethylidene-4-N-methyl-5-prop-2-enylidenepyridine-2,3,4-triamine is sourced from PubChem (CID 166782810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).