ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene

C13H32N4 — CID 143371406

IUPACethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene
SMILESC=CC.CC.CC.CCC.Cc1nncn1N
InChIInChI=1S/C3H6N4.C3H8.C3H6.2C2H6/c1-3-6-5-2-7(3)4;2*1-3-2;2*1-2/h2H,4H2,1H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyMAHRIAYFVHBCSA-UHFFFAOYSA-N
MW244.43 g/mol
LogP3.96
Rot. Bonds

About ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene

ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene (PubChem CID 143371406) has the molecular formula C13H32N4 and a molecular weight of 244.43 g/mol. Its IUPAC name is ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene.

Molecular Properties

Compound Nameethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene
PubChem CID143371406
Molecular FormulaC13H32N4
Molecular Weight244.43 g/mol
Exact Mass244.26
IUPAC Nameethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene
SMILESC=CC.CC.CC.CCC.Cc1nncn1N
InChIInChI=1S/C3H6N4.C3H8.C3H6.2C2H6/c1-3-6-5-2-7(3)4;2*1-3-2;2*1-2/h2H,4H2,1H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3
InChIKeyMAHRIAYFVHBCSA-UHFFFAOYSA-N
XLogP3.96
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.43
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
1-(5-methyl-1,2,4-triazol-1-yl)-N-[(Z)-prop-1-enyl]methanimine
CID 139385890
N-[3-[(Z)-but-1-enyl]-1,2,4-triazol-4-yl]methanimine;ethane
CID 142875433
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
ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene
CID 143371386
ethane;(Z)-N-(3-ethenyl-1,2,4-triazol-4-yl)ethanimine
CID 144846555
ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine
CID 145064500
3-[(Z)-but-1-enyl]-1,2,4-triazol-4-amine;ethane
CID 145064548
Ethane;3-ethenyl-1,2,4-triazol-4-amine
CID 145064556
N,3-bis(ethenyl)-1,2,4-triazol-4-amine;ethane;methane
CID 145064559

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene?
The IUPAC name of ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene (CID 143371406) is ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene.
What is the SMILES notation for ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene?
The canonical SMILES for ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene is C=CC.CC.CC.CCC.Cc1nncn1N.
What is the InChIKey of ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene?
The InChIKey is MAHRIAYFVHBCSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N4.C3H8.C3H6.2C2H6/c1-3-6-5-2-7(3)4;2*1-3-2;2*1-2/h2H,4H2,1H3;3H2,1-2H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene?
ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene has a molecular weight of 244.43 g/mol, XLogP of 3.96, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-1,2,4-triazol-4-amine;propane;prop-1-ene is sourced from PubChem (CID 143371406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).