(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C12H17N7O2 — CID 135949902

IUPAC(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c([C@H]2[C@H](C(N)=O)[C@@](C)(O)Nc3ncnn32)cnn1C
InChIInChI=1S/C12H17N7O2/c1-6-7(4-15-18(6)3)9-8(10(13)20)12(2,21)17-11-14-5-16-19(9)11/h4-5,8-9,21H,1-3H3,(H2,13,20)(H,14,16,17)/t8-,9+,12-/m1/s1
InChIKeyMODPOASXGZATBR-VDDIYKPWSA-N
MW291.32 g/mol
LogP-0.86
Rot. Bonds2

About (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 135949902) has the molecular formula C12H17N7O2 and a molecular weight of 291.32 g/mol. Its IUPAC name is (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID135949902
Molecular FormulaC12H17N7O2
Molecular Weight291.32 g/mol
Exact Mass291.14
IUPAC Name(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCc1c([C@H]2[C@H](C(N)=O)[C@@](C)(O)Nc3ncnn32)cnn1C
InChIInChI=1S/C12H17N7O2/c1-6-7(4-15-18(6)3)9-8(10(13)20)12(2,21)17-11-14-5-16-19(9)11/h4-5,8-9,21H,1-3H3,(H2,13,20)(H,14,16,17)/t8-,9+,12-/m1/s1
InChIKeyMODPOASXGZATBR-VDDIYKPWSA-N
XLogP-0.86
TPSA123.88 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 5-0.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 135949902) is (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is Cc1c([C@H]2[C@H](C(N)=O)[C@@](C)(O)Nc3ncnn32)cnn1C.
What is the InChIKey of (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is MODPOASXGZATBR-VDDIYKPWSA-N. The full InChI is InChI=1S/C12H17N7O2/c1-6-7(4-15-18(6)3)9-8(10(13)20)12(2,21)17-11-14-5-16-19(9)11/h4-5,8-9,21H,1-3H3,(H2,13,20)(H,14,16,17)/t8-,9+,12-/m1/s1.
What are the key properties of (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 291.32 g/mol, XLogP of -0.86, 2 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5R,6S,7R)-7-(1,5-dimethylpyrazol-4-yl)-5-hydroxy-5-methyl-6,7-dihydro-4H-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 135949902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).