6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

C9H11N5O2 — CID 83917685

IUPAC6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCN(C)Cc1cnc2nc(C(=O)O)nn2c1
InChIInChI=1S/C9H11N5O2/c1-13(2)4-6-3-10-9-11-7(8(15)16)12-14(9)5-6/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyQOTJEZXQVCVKCV-UHFFFAOYSA-N
MW221.22 g/mol
LogP-0.12
Rot. Bonds3

About 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid

6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 83917685) has the molecular formula C9H11N5O2 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID83917685
Molecular FormulaC9H11N5O2
Molecular Weight221.22 g/mol
Exact Mass221.09
IUPAC Name6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCN(C)Cc1cnc2nc(C(=O)O)nn2c1
InChIInChI=1S/C9H11N5O2/c1-13(2)4-6-3-10-9-11-7(8(15)16)12-14(9)5-6/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyQOTJEZXQVCVKCV-UHFFFAOYSA-N
XLogP-0.12
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-bromoimidazo[1,2-a]pyrimidin-6-yl)-N,N-dimethylmethanamine
CID 83919938
6-(1-benzothiophen-6-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid
CID 167849073
3-chloro-5-[(dimethylamino)methyl]pyridine-2-carboxylic acid;hydrochloride
CID 155338745
2-(6-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propan-2-amine
CID 84778565
(6-bromo-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 111561099
3-amino-2-(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanoic acid
CID 84787752
6-(diethylaminomethyl)-N,N-diethylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 56702378
(6-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(1,3-thiazol-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 136567724
N-methyl-2-(2-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanamine
CID 84771948
6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 74243849
2-(2-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoic acid
CID 84787363
2-[(dimethylamino)methyl]-1-ethylimidazole-4-carboxylic acid
CID 117187507

Frequently Asked Questions

What is the IUPAC name of 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 83917685) is 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is CN(C)Cc1cnc2nc(C(=O)O)nn2c1.
What is the InChIKey of 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is QOTJEZXQVCVKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O2/c1-13(2)4-6-3-10-9-11-7(8(15)16)12-14(9)5-6/h3,5H,4H2,1-2H3,(H,15,16).
What are the key properties of 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(dimethylamino)methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 83917685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).