N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

C12H17N5O2 — CID 79291777

IUPACN-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)N(C)CC(C)(C)O)nn12
InChIInChI=1S/C12H17N5O2/c1-8-5-6-13-11-14-9(15-17(8)11)10(18)16(4)7-12(2,3)19/h5-6,19H,7H2,1-4H3
InChIKeyVKEQLTRFIVQEMG-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.28
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide

N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 79291777) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID79291777
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC NameN-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
SMILESCc1ccnc2nc(C(=O)N(C)CC(C)(C)O)nn12
InChIInChI=1S/C12H17N5O2/c1-8-5-6-13-11-14-9(15-17(8)11)10(18)16(4)7-12(2,3)19/h5-6,19H,7H2,1-4H3
InChIKeyVKEQLTRFIVQEMG-UHFFFAOYSA-N
XLogP0.28
TPSA83.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide (CID 79291777) is N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is Cc1ccnc2nc(C(=O)N(C)CC(C)(C)O)nn12.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is VKEQLTRFIVQEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-8-5-6-13-11-14-9(15-17(8)11)10(18)16(4)7-12(2,3)19/h5-6,19H,7H2,1-4H3.
What are the key properties of N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide?
N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-N,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 79291777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).