N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

C17H16N8O — CID 127028993

IUPACN-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cn[nH]n3)nc21
InChIInChI=1S/C17H16N8O/c1-17(2)13-10(8-26-17)14(21-16(19-13)12-7-18-25-23-12)20-15-9-5-3-4-6-11(9)22-24-15/h3-7H,8H2,1-2H3,(H,18,23,25)(H2,19,20,21,22,24)
InChIKeyAPEHBMOICBLOJP-UHFFFAOYSA-N
MW348.37 g/mol
LogP2.65
Rot. Bonds3

About N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine

N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (PubChem CID 127028993) has the molecular formula C17H16N8O and a molecular weight of 348.37 g/mol. Its IUPAC name is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
PubChem CID127028993
Molecular FormulaC17H16N8O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC NameN-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine
SMILESCC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cn[nH]n3)nc21
InChIInChI=1S/C17H16N8O/c1-17(2)13-10(8-26-17)14(21-16(19-13)12-7-18-25-23-12)20-15-9-5-3-4-6-11(9)22-24-15/h3-7H,8H2,1-2H3,(H,18,23,25)(H2,19,20,21,22,24)
InChIKeyAPEHBMOICBLOJP-UHFFFAOYSA-N
XLogP2.65
TPSA117.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine (CID 127028993) is N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is CC1(C)OCc2c(Nc3n[nH]c4ccccc34)nc(-c3cn[nH]n3)nc21.
What is the InChIKey of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
The InChIKey is APEHBMOICBLOJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O/c1-17(2)13-10(8-26-17)14(21-16(19-13)12-7-18-25-23-12)20-15-9-5-3-4-6-11(9)22-24-15/h3-7H,8H2,1-2H3,(H,18,23,25)(H2,19,20,21,22,24).
What are the key properties of N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine?
N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine has a molecular weight of 348.37 g/mol, XLogP of 2.65, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-3-yl)-7,7-dimethyl-2-(2H-triazol-4-yl)-5H-furo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 127028993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).