ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene

C13H30N4 — CID 143371386

IUPACethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene
SMILESC=CC.CC.CC.CCN(C)n1cnnc1C
InChIInChI=1S/C6H12N4.C3H6.2C2H6/c1-4-9(3)10-5-7-8-6(10)2;1-3-2;2*1-2/h5H,4H2,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyBJLIPQAQMSLSJU-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.42
Rot. Bonds2

About ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene

ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene (PubChem CID 143371386) has the molecular formula C13H30N4 and a molecular weight of 242.41 g/mol. Its IUPAC name is ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene.

Molecular Properties

Compound Nameethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene
PubChem CID143371386
Molecular FormulaC13H30N4
Molecular Weight242.41 g/mol
Exact Mass242.25
IUPAC Nameethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene
SMILESC=CC.CC.CC.CCN(C)n1cnnc1C
InChIInChI=1S/C6H12N4.C3H6.2C2H6/c1-4-9(3)10-5-7-8-6(10)2;1-3-2;2*1-2/h5H,4H2,1-3H3;3H,1H2,2H3;2*1-2H3
InChIKeyBJLIPQAQMSLSJU-UHFFFAOYSA-N
XLogP3.42
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-Allyl-4-methyl-1,2,4-triazole
CID 129875053
1-(2-Fluoroprop-2-enyl)-5-methyl-1,2,4-triazole
CID 144028656
1-Ethyl-3-methyl-1,2,4-triazole;nickel(3+);propane
CID 20791684
1-Ethyl-5-methyl-1,2,4-triazole;nickel(3+);propane
CID 20791687
1-Methyl-3-prop-2-enyl-1,2,4-triazole
CID 53833144
1-methyl-5-[(E)-prop-1-enyl]-1,2,4-triazole
CID 56977342
1-methyl-3-[(E)-prop-1-enyl]-1,2,4-triazole
CID 57246645
3-Methyl-1-(2-methylprop-1-enyl)-1,2,4-triazole
CID 58503812
1-Prop-2-enyl-1,2,4-triazole-3-carbonitrile
CID 60710153
3,4-Bis(prop-2-enyl)-1,2,4-triazole
CID 67685086
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
(1-Prop-2-enyl-1,2,4-triazol-3-yl)methanamine
CID 81672638

Frequently Asked Questions

What is the IUPAC name of ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene?
The IUPAC name of ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene (CID 143371386) is ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene.
What is the SMILES notation for ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene?
The canonical SMILES for ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene is C=CC.CC.CC.CCN(C)n1cnnc1C.
What is the InChIKey of ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene?
The InChIKey is BJLIPQAQMSLSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4.C3H6.2C2H6/c1-4-9(3)10-5-7-8-6(10)2;1-3-2;2*1-2/h5H,4H2,1-3H3;3H,1H2,2H3;2*1-2H3.
What are the key properties of ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene?
ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene has a molecular weight of 242.41 g/mol, XLogP of 3.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-ethyl-N,3-dimethyl-1,2,4-triazol-4-amine;prop-1-ene is sourced from PubChem (CID 143371386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).