N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine

C14H19N7 — CID 155955373

IUPACN,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine
SMILESCC(C)CN(C)c1nnc(-c2cnc3[nH]ncc3c2)n1C
InChIInChI=1S/C14H19N7/c1-9(2)8-20(3)14-19-18-13(21(14)4)11-5-10-7-16-17-12(10)15-6-11/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyVQRRHDOESWKTSE-UHFFFAOYSA-N
MW285.36 g/mol
LogP1.85
Rot. Bonds4

About N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine

N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine (PubChem CID 155955373) has the molecular formula C14H19N7 and a molecular weight of 285.36 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine
PubChem CID155955373
Molecular FormulaC14H19N7
Molecular Weight285.36 g/mol
Exact Mass285.17
IUPAC NameN,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine
SMILESCC(C)CN(C)c1nnc(-c2cnc3[nH]ncc3c2)n1C
InChIInChI=1S/C14H19N7/c1-9(2)8-20(3)14-19-18-13(21(14)4)11-5-10-7-16-17-12(10)15-6-11/h5-7,9H,8H2,1-4H3,(H,15,16,17)
InChIKeyVQRRHDOESWKTSE-UHFFFAOYSA-N
XLogP1.85
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine?
The IUPAC name of N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine (CID 155955373) is N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine.
What is the SMILES notation for N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine?
The canonical SMILES for N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine is CC(C)CN(C)c1nnc(-c2cnc3[nH]ncc3c2)n1C.
What is the InChIKey of N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine?
The InChIKey is VQRRHDOESWKTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-9(2)8-20(3)14-19-18-13(21(14)4)11-5-10-7-16-17-12(10)15-6-11/h5-7,9H,8H2,1-4H3,(H,15,16,17).
What are the key properties of N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine?
N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine has a molecular weight of 285.36 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-methylpropyl)-5-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1,2,4-triazol-3-amine is sourced from PubChem (CID 155955373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).