1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide

C11H14N8O — CID 80868517

IUPAC1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C11H14N8O/c12-8(20)7-5-14-19(6-7)11-16-9(13)15-10(17-11)18-3-1-2-4-18/h5-6H,1-4H2,(H2,12,20)(H2,13,15,16,17)
InChIKeyGMYLAHVUOUNQGI-UHFFFAOYSA-N
MW274.29 g/mol
LogP-0.66
Rot. Bonds3

About 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide

1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide (PubChem CID 80868517) has the molecular formula C11H14N8O and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
PubChem CID80868517
Molecular FormulaC11H14N8O
Molecular Weight274.29 g/mol
Exact Mass274.13
IUPAC Name1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2nc(N)nc(N3CCCC3)n2)c1
InChIInChI=1S/C11H14N8O/c12-8(20)7-5-14-19(6-7)11-16-9(13)15-10(17-11)18-3-1-2-4-18/h5-6H,1-4H2,(H2,12,20)(H2,13,15,16,17)
InChIKeyGMYLAHVUOUNQGI-UHFFFAOYSA-N
XLogP-0.66
TPSA128.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 5-0.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 80729329
4-(1-oxo-1,4-thiazinan-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80805197
5-amino-6-(4-carbamoylpyrazol-1-yl)pyridine-2-carboxylic acid
CID 114408305
1-(5,6-diamino-2-pyridinyl)pyrazole-4-carboxamide
CID 79827053
1-[4-[4-amino-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-yl]piperazin-1-yl]ethanone
CID 80751563
4-(azepan-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80764187
4-pyrrolidin-1-yl-6-(1,4-thiazepan-4-yl)-1,3,5-triazin-2-amine
CID 80795140
2-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)-methylamino]acetamide
CID 80778498
1-(6-amino-2,3-difluorophenyl)pyrazole-4-carboxamide
CID 64782710
1-(4-amino-2,6-difluorophenyl)pyrazole-4-carboxamide
CID 64780820
1-(7-phenyl-4-pyrrolidin-1-ylquinazolin-2-yl)pyrazole-4-carboxylic acid
CID 56656538

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide (CID 80868517) is 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2nc(N)nc(N3CCCC3)n2)c1.
What is the InChIKey of 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
The InChIKey is GMYLAHVUOUNQGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N8O/c12-8(20)7-5-14-19(6-7)11-16-9(13)15-10(17-11)18-3-1-2-4-18/h5-6H,1-4H2,(H2,12,20)(H2,13,15,16,17).
What are the key properties of 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide?
1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide has a molecular weight of 274.29 g/mol, XLogP of -0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 80868517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).