1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid

C10H15N5O2 — CID 139498759

IUPAC1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid
SMILESC=CN/C=C(/Cn1cc(C(=O)O)nn1)N(C)C
InChIInChI=1S/C10H15N5O2/c1-4-11-5-8(14(2)3)6-15-7-9(10(16)17)12-13-15/h4-5,7,11H,1,6H2,2-3H3,(H,16,17)/b8-5-
InChIKeyLNWMLGIPKCZRBQ-YVMONPNESA-N
MW237.26 g/mol
LogP0.11
Rot. Bonds6

About 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid

1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid (PubChem CID 139498759) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid
PubChem CID139498759
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC Name1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid
SMILESC=CN/C=C(/Cn1cc(C(=O)O)nn1)N(C)C
InChIInChI=1S/C10H15N5O2/c1-4-11-5-8(14(2)3)6-15-7-9(10(16)17)12-13-15/h4-5,7,11H,1,6H2,2-3H3,(H,16,17)/b8-5-
InChIKeyLNWMLGIPKCZRBQ-YVMONPNESA-N
XLogP0.11
TPSA83.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2-[methyl-[2-(methylamino)ethyl]amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288929
ethyl 1-[(Z)-3-(ethenylamino)-2-(ethylamino)prop-2-enyl]triazole-4-carboxylate
CID 155180320
1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]-N-[[2-fluoro-3-methoxy-6-(tetrazol-1-yl)phenyl]methyl]triazole-4-carboxamide
CID 163759832
1-[2-[methyl(3-methylbutan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289111
1-[2-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66288911
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289328
1-[2-(azepan-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 62059933
1-[2-oxo-2-(N-propan-2-ylanilino)ethyl]triazole-4-carboxylic acid
CID 62059766
1-[2-[3-(dimethylcarbamoyl)pyrazol-1-yl]ethyl]triazole-4-carboxylic acid
CID 64777982
1-[2-[2-(dimethylamino)ethyl-propylamino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66290168
1-[2-(4-ethyl-4-methylpiperidin-1-yl)-2-oxoethyl]triazole-4-carboxylic acid
CID 66290172
1-[2-[(1-amino-2-methyl-1-oxopropan-2-yl)amino]-2-oxoethyl]triazole-4-carboxylic acid
CID 66289546

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid?
The IUPAC name of 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid (CID 139498759) is 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid.
What is the SMILES notation for 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid?
The canonical SMILES for 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid is C=CN/C=C(/Cn1cc(C(=O)O)nn1)N(C)C.
What is the InChIKey of 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid?
The InChIKey is LNWMLGIPKCZRBQ-YVMONPNESA-N. The full InChI is InChI=1S/C10H15N5O2/c1-4-11-5-8(14(2)3)6-15-7-9(10(16)17)12-13-15/h4-5,7,11H,1,6H2,2-3H3,(H,16,17)/b8-5-.
What are the key properties of 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid?
1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid has a molecular weight of 237.26 g/mol, XLogP of 0.11, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-(dimethylamino)-3-(ethenylamino)prop-2-enyl]triazole-4-carboxylic acid is sourced from PubChem (CID 139498759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).