1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid

C10H11N5O2 — CID 102645162

IUPAC1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
SMILESNCCn1nnc(C(=O)O)c1-c1ccncc1
InChIInChI=1S/C10H11N5O2/c11-3-6-15-9(7-1-4-12-5-2-7)8(10(16)17)13-14-15/h1-2,4-5H,3,6,11H2,(H,16,17)
InChIKeyMKDRVDWZANXQFI-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.00
Rot. Bonds4

About 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid

1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid (PubChem CID 102645162) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
PubChem CID102645162
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
SMILESNCCn1nnc(C(=O)O)c1-c1ccncc1
InChIInChI=1S/C10H11N5O2/c11-3-6-15-9(7-1-4-12-5-2-7)8(10(16)17)13-14-15/h1-2,4-5H,3,6,11H2,(H,16,17)
InChIKeyMKDRVDWZANXQFI-UHFFFAOYSA-N
XLogP-0.00
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-ethylsulfonylethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645056
1-[3-(methylamino)-3-oxopropyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645132
1-(2-pyrazol-1-ylethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645084
1-[3-(dimethylamino)propyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645064
1-(2-methylprop-2-enyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 82210601
1-[(4-methyl-1,2,4-triazol-3-yl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645158
1-(oxan-4-ylmethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645086
1-(1,2,4-oxadiazol-5-ylmethyl)-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645152
1-[(3-chlorophenyl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 56769041
1-[(5-bromothiophen-3-yl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645168
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-pyridin-4-yltriazole-4-carboxylic acid
CID 102645125
1-butyl-5-phenyltriazole-4-carboxylic acid
CID 82205223

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid?
The IUPAC name of 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid (CID 102645162) is 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid.
What is the SMILES notation for 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid?
The canonical SMILES for 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid is NCCn1nnc(C(=O)O)c1-c1ccncc1.
What is the InChIKey of 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid?
The InChIKey is MKDRVDWZANXQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c11-3-6-15-9(7-1-4-12-5-2-7)8(10(16)17)13-14-15/h1-2,4-5H,3,6,11H2,(H,16,17).
What are the key properties of 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid?
1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-5-pyridin-4-yltriazole-4-carboxylic acid is sourced from PubChem (CID 102645162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).