7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H21N7O — CID 3242051

IUPAC7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(N(C)C)cc2)n2ncnc2N1
InChIInChI=1S/C20H21N7O/c1-13-17(19(28)25-16-6-4-5-11-21-16)18(27-20(24-13)22-12-23-27)14-7-9-15(10-8-14)26(2)3/h4-12,18H,1-3H3,(H,21,25,28)(H,22,23,24)
InChIKeyVFXROKXSDKPIGG-UHFFFAOYSA-N
MW375.44 g/mol
LogP2.67
Rot. Bonds4

About 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 3242051) has the molecular formula C20H21N7O and a molecular weight of 375.44 g/mol. Its IUPAC name is 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID3242051
Molecular FormulaC20H21N7O
Molecular Weight375.44 g/mol
Exact Mass375.18
IUPAC Name7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCC1=C(C(=O)Nc2ccccn2)C(c2ccc(N(C)C)cc2)n2ncnc2N1
InChIInChI=1S/C20H21N7O/c1-13-17(19(28)25-16-6-4-5-11-21-16)18(27-20(24-13)22-12-23-27)14-7-9-15(10-8-14)26(2)3/h4-12,18H,1-3H3,(H,21,25,28)(H,22,23,24)
InChIKeyVFXROKXSDKPIGG-UHFFFAOYSA-N
XLogP2.67
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 3242051) is 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CC1=C(C(=O)Nc2ccccn2)C(c2ccc(N(C)C)cc2)n2ncnc2N1.
What is the InChIKey of 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is VFXROKXSDKPIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O/c1-13-17(19(28)25-16-6-4-5-11-21-16)18(27-20(24-13)22-12-23-27)14-7-9-15(10-8-14)26(2)3/h4-12,18H,1-3H3,(H,21,25,28)(H,22,23,24).
What are the key properties of 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(dimethylamino)phenyl]-5-methyl-N-pyridin-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 3242051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).