ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine

C9H20N4 — CID 145064500

IUPACethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine
SMILESC/C=C\c1nncn1N.CC.CC
InChIInChI=1S/C5H8N4.2C2H6/c1-2-3-5-8-7-4-9(5)6;2*1-2/h2-4H,6H2,1H3;2*1-2H3/b3-2-;;
InChIKeyGVCOBQBSKBWTMJ-BGQPXYRPSA-N
MW184.29 g/mol
LogP2.08
Rot. Bonds1

About ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine

ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine (PubChem CID 145064500) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine.

Molecular Properties

Compound Nameethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine
PubChem CID145064500
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Nameethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine
SMILESC/C=C\c1nncn1N.CC.CC
InChIInChI=1S/C5H8N4.2C2H6/c1-2-3-5-8-7-4-9(5)6;2*1-2/h2-4H,6H2,1H3;2*1-2H3/b3-2-;;
InChIKeyGVCOBQBSKBWTMJ-BGQPXYRPSA-N
XLogP2.08
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
dimethyl-[1-methyl-5-(2-methyl-propenyl)-1H-[1,2,4]triazol-3-yl]-amine
CID 90025102
5-Ethenyl-1-methyl-1,2,4-triazole
CID 115011042
1-methyl-5-[(Z)-prop-1-enyl]-1,2,4-triazole
CID 117607455
5-[(1Z,3Z)-penta-1,3-dienyl]-1H-1,2,4-triazole
CID 122674395
5-Ethenyl-1-prop-2-enyl-1,2,4-triazole
CID 129294458
N-[3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-yl]methanimine
CID 130434098
(Z)-N-ethyl-1-(5-ethyl-1,2,4-triazol-1-yl)but-2-en-1-imine
CID 132109342

Frequently Asked Questions

What is the IUPAC name of ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine?
The IUPAC name of ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine (CID 145064500) is ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine.
What is the SMILES notation for ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine?
The canonical SMILES for ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine is C/C=C\c1nncn1N.CC.CC.
What is the InChIKey of ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine?
The InChIKey is GVCOBQBSKBWTMJ-BGQPXYRPSA-N. The full InChI is InChI=1S/C5H8N4.2C2H6/c1-2-3-5-8-7-4-9(5)6;2*1-2/h2-4H,6H2,1H3;2*1-2H3/b3-2-;;.
What are the key properties of ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine?
ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine has a molecular weight of 184.29 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[(Z)-prop-1-enyl]-1,2,4-triazol-4-amine is sourced from PubChem (CID 145064500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).