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

C8H18N4 — CID 145064556

IUPACethane;3-ethenyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1N.CC.CC
InChIInChI=1S/C4H6N4.2C2H6/c1-2-4-7-6-3-8(4)5;2*1-2/h2-3H,1,5H2;2*1-2H3
InChIKeyRJPDDKCDBAHOOL-UHFFFAOYSA-N
MW170.26 g/mol
LogP1.69
Rot. Bonds1

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

ethane;3-ethenyl-1,2,4-triazol-4-amine (PubChem CID 145064556) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is ethane;3-ethenyl-1,2,4-triazol-4-amine.

Molecular Properties

Compound Nameethane;3-ethenyl-1,2,4-triazol-4-amine
PubChem CID145064556
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Nameethane;3-ethenyl-1,2,4-triazol-4-amine
SMILESC=Cc1nncn1N.CC.CC
InChIInChI=1S/C4H6N4.2C2H6/c1-2-4-7-6-3-8(4)5;2*1-2/h2-3H,1,5H2;2*1-2H3
InChIKeyRJPDDKCDBAHOOL-UHFFFAOYSA-N
XLogP1.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethenyl-1H-1,2,4-triazole
CID 19004185
3-Ethenyl-1-sulfanyl-1,2,4-triazole
CID 23225434
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
5-prop-1-enyl-1H-1,2,4-triazole
CID 67571821
5-ethenyl-1-ethyl-1H-1,2,4-triazole
CID 71651539
5-[(E)-prop-1-enyl]-1H-1,2,4-triazole
CID 87792768
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
5-Ethenyl-1-propan-2-yl-1,2,4-triazole
CID 115011320
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455
5-Ethenyl-3-methyl-1,2,4-triazol-1-amine
CID 123415128
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098

Frequently Asked Questions

What is the IUPAC name of ethane;3-ethenyl-1,2,4-triazol-4-amine?
The IUPAC name of ethane;3-ethenyl-1,2,4-triazol-4-amine (CID 145064556) is ethane;3-ethenyl-1,2,4-triazol-4-amine.
What is the SMILES notation for ethane;3-ethenyl-1,2,4-triazol-4-amine?
The canonical SMILES for ethane;3-ethenyl-1,2,4-triazol-4-amine is C=Cc1nncn1N.CC.CC.
What is the InChIKey of ethane;3-ethenyl-1,2,4-triazol-4-amine?
The InChIKey is RJPDDKCDBAHOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4.2C2H6/c1-2-4-7-6-3-8(4)5;2*1-2/h2-3H,1,5H2;2*1-2H3.
What are the key properties of ethane;3-ethenyl-1,2,4-triazol-4-amine?
ethane;3-ethenyl-1,2,4-triazol-4-amine has a molecular weight of 170.26 g/mol, XLogP of 1.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-ethenyl-1,2,4-triazol-4-amine is sourced from PubChem (CID 145064556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).