(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

C11H20N4 — CID 142136410

IUPAC(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(C)n1.CC/C=C\NC
InChIInChI=1S/C6H9N3.C5H11N/c1-3-4-6-7-5(2)8-9-6;1-3-4-5-6-2/h3-4H,1-2H3,(H,7,8,9);4-6H,3H2,1-2H3/b4-3+;5-4-
InChIKeyCUMSVMGTZMPDRE-OCYPTAHZSA-N
MW208.31 g/mol
LogP2.28
Rot. Bonds3

About (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole

(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (PubChem CID 142136410) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
PubChem CID142136410
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole
SMILESC/C=C/c1n[nH]c(C)n1.CC/C=C\NC
InChIInChI=1S/C6H9N3.C5H11N/c1-3-4-6-7-5(2)8-9-6;1-3-4-5-6-2/h3-4H,1-2H3,(H,7,8,9);4-6H,3H2,1-2H3/b4-3+;5-4-
InChIKeyCUMSVMGTZMPDRE-OCYPTAHZSA-N
XLogP2.28
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole with MolForge

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Related Compounds

(Z)-2-(5-methyl-1H-1,2,4-triazol-3-yl)ethenamine
CID 59967520
5-methyl-N,N-bis(prop-2-enyl)-1H-1,2,4-triazol-3-amine
CID 126569116
N-[(1Z,3E)-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dienyl]methanimine
CID 132126166
(Z)-N-ethenyl-1-(5-methyl-1H-1,2,4-triazol-3-yl)but-2-en-1-imine
CID 137296344
2-(3-buta-1,3-dien-2-yl-1H-1,2,4-triazol-5-yl)-N,N-dimethylethanamine
CID 139453871
1-methyl-5-(5-methyl-1H-1,2,4-triazol-3-yl)-2,3-dihydroazepine;molecular hydrogen
CID 142136444
ethane;(E)-N-(methyldiazenyl)prop-1-en-1-amine;5-methyl-1H-1,2,4-triazole
CID 142961689
(E)-N-methyl-2-(5-methyl-1H-1,2,4-triazol-3-yl)prop-1-en-1-amine
CID 144160126
lawrencium;2-methyl-6-(5-methyl-1H-1,2,4-triazol-3-yl)-1H-azepine
CID 145598548
(1Z,3E)-N,N-dimethyl-3-(5-methyl-1H-1,2,4-triazol-3-yl)penta-1,3-dien-1-amine
CID 146247684
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]but-1-en-2-amine
CID 172383655
5-methyl-3-(1H-pyrazol-1-ium-1-yl)-1H-1,2,4-triazole
CID 173358508

Frequently Asked Questions

What is the IUPAC name of (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The IUPAC name of (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole (CID 142136410) is (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole.
What is the SMILES notation for (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The canonical SMILES for (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole is C/C=C/c1n[nH]c(C)n1.CC/C=C\NC.
What is the InChIKey of (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
The InChIKey is CUMSVMGTZMPDRE-OCYPTAHZSA-N. The full InChI is InChI=1S/C6H9N3.C5H11N/c1-3-4-6-7-5(2)8-9-6;1-3-4-5-6-2/h3-4H,1-2H3,(H,7,8,9);4-6H,3H2,1-2H3/b4-3+;5-4-.
What are the key properties of (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole?
(Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole has a molecular weight of 208.31 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-methylbut-1-en-1-amine;5-methyl-3-[(E)-prop-1-enyl]-1H-1,2,4-triazole is sourced from PubChem (CID 142136410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).