1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine

C20H27N5 — CID 166532953

IUPAC1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine
SMILESC=C/C=C1/CC(C(C)NC(=C)NC2CCc3ncnn3C2)=C(C)C1=C
InChIInChI=1S/C20H27N5/c1-6-7-17-10-19(14(3)13(17)2)15(4)23-16(5)24-18-8-9-20-21-12-22-25(20)11-18/h6-7,12,15,18,23-24H,1-2,5,8-11H2,3-4H3/b17-7-
InChIKeyCJPKFUMIGSLSOC-IDUWFGFVSA-N
MW337.47 g/mol
LogP3.02
Rot. Bonds6

About 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine

1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine (PubChem CID 166532953) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine
PubChem CID166532953
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine
SMILESC=C/C=C1/CC(C(C)NC(=C)NC2CCc3ncnn3C2)=C(C)C1=C
InChIInChI=1S/C20H27N5/c1-6-7-17-10-19(14(3)13(17)2)15(4)23-16(5)24-18-8-9-20-21-12-22-25(20)11-18/h6-7,12,15,18,23-24H,1-2,5,8-11H2,3-4H3/b17-7-
InChIKeyCJPKFUMIGSLSOC-IDUWFGFVSA-N
XLogP3.02
TPSA54.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine?
The IUPAC name of 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine (CID 166532953) is 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine.
What is the SMILES notation for 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine?
The canonical SMILES for 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine is C=C/C=C1/CC(C(C)NC(=C)NC2CCc3ncnn3C2)=C(C)C1=C.
What is the InChIKey of 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine?
The InChIKey is CJPKFUMIGSLSOC-IDUWFGFVSA-N. The full InChI is InChI=1S/C20H27N5/c1-6-7-17-10-19(14(3)13(17)2)15(4)23-16(5)24-18-8-9-20-21-12-22-25(20)11-18/h6-7,12,15,18,23-24H,1-2,5,8-11H2,3-4H3/b17-7-.
What are the key properties of 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine?
1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine has a molecular weight of 337.47 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-[(4Z)-2-methyl-3-methylidene-4-prop-2-enylidenecyclopenten-1-yl]ethyl]-1-N-(5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)ethene-1,1-diamine is sourced from PubChem (CID 166532953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).