N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C16H21N5O2 — CID 94171321

IUPACN-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C[C@H]3CCOC3)C3CC3)nc2n1
InChIInChI=1S/C16H21N5O2/c1-10-7-11(2)21-16(17-10)18-14(19-21)15(22)20(13-3-4-13)8-12-5-6-23-9-12/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDBOSBAQSUVDSAX-GFCCVEGCSA-N
MW315.38 g/mol
LogP1.38
Rot. Bonds4

About N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 94171321) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID94171321
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC NameN-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1cc(C)n2nc(C(=O)N(C[C@H]3CCOC3)C3CC3)nc2n1
InChIInChI=1S/C16H21N5O2/c1-10-7-11(2)21-16(17-10)18-14(19-21)15(22)20(13-3-4-13)8-12-5-6-23-9-12/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m1/s1
InChIKeyDBOSBAQSUVDSAX-GFCCVEGCSA-N
XLogP1.38
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5,7-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 94174774
N,5,7-trimethyl-N-(4-methylcyclohexyl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 32917838
N-(1,3-benzodioxol-5-ylmethyl)-N-cyclopentyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18190284
N-cyclopropyl-1,5-dimethyl-N-[[(3S)-oxolan-3-yl]methyl]pyrazole-4-carboxamide
CID 94026181
1-cyclopropyl-3-[2-(3,5-dimethylpyrazol-1-yl)phenyl]-1-[[(3R)-oxolan-3-yl]methyl]urea
CID 94782047
5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbohydrazide
CID 609815
N-cyclopropyl-5-methyl-N-(oxolan-3-ylmethyl)thiophene-2-carboxamide
CID 91915335
N-ethyl-N-[1-(1-ethyl-2-oxopyrrolidin-3-yl)pyrrolidin-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 167885762
N-cyclopropyl-6-methyl-4-oxo-N-(oxolan-3-ylmethyl)-1H-pyridine-3-carboxamide
CID 103717805
5,7-dimethyl-N-[2-[(3S)-oxolan-3-yl]ethyl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 124750862
N-butan-2-yl-N,5,7-trimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 47163756
6-chloro-N-cyclopropyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 55052541

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 94171321) is N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1cc(C)n2nc(C(=O)N(C[C@H]3CCOC3)C3CC3)nc2n1.
What is the InChIKey of N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is DBOSBAQSUVDSAX-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-10-7-11(2)21-16(17-10)18-14(19-21)15(22)20(13-3-4-13)8-12-5-6-23-9-12/h7,12-13H,3-6,8-9H2,1-2H3/t12-/m1/s1.
What are the key properties of N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 315.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5,7-dimethyl-N-[[(3R)-oxolan-3-yl]methyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 94171321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).