ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine

C9H20N4 — CID 145064597

IUPACethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1NC.CC.CC
InChIInChI=1S/C5H8N4.2C2H6/c1-3-5-8-7-4-9(5)6-2;2*1-2/h3-4,6H,1H2,2H3;2*1-2H3
InChIKeyUFUWMNXXZLIOAT-UHFFFAOYSA-N
MW184.29 g/mol
LogP2.15
Rot. Bonds2

About ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine

ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine (PubChem CID 145064597) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Nameethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine
PubChem CID145064597
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Nameethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1NC.CC.CC
InChIInChI=1S/C5H8N4.2C2H6/c1-3-5-8-7-4-9(5)6-2;2*1-2/h3-4,6H,1H2,2H3;2*1-2H3
InChIKeyUFUWMNXXZLIOAT-UHFFFAOYSA-N
XLogP2.15
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
N,3-dimethyl-1,2,4-triazol-1-amine
CID 22367688
5-ethenyl-1H-1,2,4-triazol-4-ium
CID 60052707
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
CID 122674395
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
5-[(Z)-prop-1-enyl]-1H-1,2,4-triazole
CID 132246828
N,3-dimethyl-1,2,4-triazol-4-amine
CID 139385925
ethane;N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 142875440
ethane;(E)-N-(methyldiazenyl)prop-1-en-1-amine;5-methyl-1H-1,2,4-triazole
CID 142961689
ethane;3-methyl-1,2,4-triazol-4-amine;(Z)-pent-2-ene
CID 143371364

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine?
The IUPAC name of ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine (CID 145064597) is ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine.
What is the SMILES notation for ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine?
The canonical SMILES for ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine is C=Cc1nncn1NC.CC.CC.
What is the InChIKey of ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine?
The InChIKey is UFUWMNXXZLIOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4.2C2H6/c1-3-5-8-7-4-9(5)6-2;2*1-2/h3-4,6H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine?
ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine has a molecular weight of 184.29 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-N-methyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 145064597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).