1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine

C14H20N6 — CID 146359150

IUPAC1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine
SMILESC=C1C(C)=C(c2nn[nH]n2)C/C1=C/C(=C\C)CN(C)N
InChIInChI=1S/C14H20N6/c1-5-11(8-20(4)15)6-12-7-13(10(3)9(12)2)14-16-18-19-17-14/h5-6H,2,7-8,15H2,1,3-4H3,(H,16,17,18,19)/b11-5+,12-6-
InChIKeyQUUNHMWIESSPLD-MCSXFCTQSA-N
MW272.36 g/mol
LogP1.61
Rot. Bonds4

About 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine

1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine (PubChem CID 146359150) has the molecular formula C14H20N6 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine.

Molecular Properties

Compound Name1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine
PubChem CID146359150
Molecular FormulaC14H20N6
Molecular Weight272.36 g/mol
Exact Mass272.17
IUPAC Name1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine
SMILESC=C1C(C)=C(c2nn[nH]n2)C/C1=C/C(=C\C)CN(C)N
InChIInChI=1S/C14H20N6/c1-5-11(8-20(4)15)6-12-7-13(10(3)9(12)2)14-16-18-19-17-14/h5-6H,2,7-8,15H2,1,3-4H3,(H,16,17,18,19)/b11-5+,12-6-
InChIKeyQUUNHMWIESSPLD-MCSXFCTQSA-N
XLogP1.61
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine?
The IUPAC name of 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine (CID 146359150) is 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine.
What is the SMILES notation for 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine?
The canonical SMILES for 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine is C=C1C(C)=C(c2nn[nH]n2)C/C1=C/C(=C\C)CN(C)N.
What is the InChIKey of 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine?
The InChIKey is QUUNHMWIESSPLD-MCSXFCTQSA-N. The full InChI is InChI=1S/C14H20N6/c1-5-11(8-20(4)15)6-12-7-13(10(3)9(12)2)14-16-18-19-17-14/h5-6H,2,7-8,15H2,1,3-4H3,(H,16,17,18,19)/b11-5+,12-6-.
What are the key properties of 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine?
1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine has a molecular weight of 272.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(E)-2-[(Z)-[3-methyl-2-methylidene-4-(2H-tetrazol-5-yl)cyclopent-3-en-1-ylidene]methyl]but-2-enyl]hydrazine is sourced from PubChem (CID 146359150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).