1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine

C19H18N10O — CID 90655896

IUPAC1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine
SMILESc1cc2cn[nH]c2cc1-n1nnc2nc(Nc3ccn(C4CCOCC4)n3)ncc21
InChIInChI=1S/C19H18N10O/c1-2-14(9-15-12(1)10-21-24-15)29-16-11-20-19(23-18(16)25-27-29)22-17-3-6-28(26-17)13-4-7-30-8-5-13/h1-3,6,9-11,13H,4-5,7-8H2,(H,21,24)(H,20,22,23,26)
InChIKeyBWNLUTKKCVJOHI-UHFFFAOYSA-N
MW402.42 g/mol
LogP2.38
Rot. Bonds4

About 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine

1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine (PubChem CID 90655896) has the molecular formula C19H18N10O and a molecular weight of 402.42 g/mol. Its IUPAC name is 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine.

Molecular Properties

Compound Name1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine
PubChem CID90655896
Molecular FormulaC19H18N10O
Molecular Weight402.42 g/mol
Exact Mass402.17
IUPAC Name1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine
SMILESc1cc2cn[nH]c2cc1-n1nnc2nc(Nc3ccn(C4CCOCC4)n3)ncc21
InChIInChI=1S/C19H18N10O/c1-2-14(9-15-12(1)10-21-24-15)29-16-11-20-19(23-18(16)25-27-29)22-17-3-6-28(26-17)13-4-7-30-8-5-13/h1-3,6,9-11,13H,4-5,7-8H2,(H,21,24)(H,20,22,23,26)
InChIKeyBWNLUTKKCVJOHI-UHFFFAOYSA-N
XLogP2.38
TPSA124.25 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.42
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine?
The IUPAC name of 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine (CID 90655896) is 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine.
What is the SMILES notation for 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine?
The canonical SMILES for 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine is c1cc2cn[nH]c2cc1-n1nnc2nc(Nc3ccn(C4CCOCC4)n3)ncc21.
What is the InChIKey of 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine?
The InChIKey is BWNLUTKKCVJOHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N10O/c1-2-14(9-15-12(1)10-21-24-15)29-16-11-20-19(23-18(16)25-27-29)22-17-3-6-28(26-17)13-4-7-30-8-5-13/h1-3,6,9-11,13H,4-5,7-8H2,(H,21,24)(H,20,22,23,26).
What are the key properties of 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine?
1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine has a molecular weight of 402.42 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indazol-6-yl)-N-[1-(oxan-4-yl)pyrazol-3-yl]triazolo[4,5-d]pyrimidin-5-amine is sourced from PubChem (CID 90655896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).