[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol

C20H24N4O2 — CID 91368001

IUPAC[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol
SMILESCCC(C)Oc1ccc(-c2cccn3nc(NC(O)C4CC4)nc23)cc1
InChIInChI=1S/C20H24N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15,19,25H,3,6-7H2,1-2H3,(H,22,23)
InChIKeyZNTOFFCUDOLDJC-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.71
Rot. Bonds7

About [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol

[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol (PubChem CID 91368001) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol.

Molecular Properties

Compound Name[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol
PubChem CID91368001
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol
SMILESCCC(C)Oc1ccc(-c2cccn3nc(NC(O)C4CC4)nc23)cc1
InChIInChI=1S/C20H24N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15,19,25H,3,6-7H2,1-2H3,(H,22,23)
InChIKeyZNTOFFCUDOLDJC-UHFFFAOYSA-N
XLogP3.71
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol?
The IUPAC name of [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol (CID 91368001) is [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol.
What is the SMILES notation for [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol?
The canonical SMILES for [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol is CCC(C)Oc1ccc(-c2cccn3nc(NC(O)C4CC4)nc23)cc1.
What is the InChIKey of [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol?
The InChIKey is ZNTOFFCUDOLDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-3-13(2)26-16-10-8-14(9-11-16)17-5-4-12-24-18(17)21-20(23-24)22-19(25)15-6-7-15/h4-5,8-13,15,19,25H,3,6-7H2,1-2H3,(H,22,23).
What are the key properties of [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol?
[[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol has a molecular weight of 352.44 g/mol, XLogP of 3.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[8-(4-butan-2-yloxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-cyclopropylmethanol is sourced from PubChem (CID 91368001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).