7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C16H14N6O2 — CID 140901817

IUPAC7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILES[C-]#[N+]c1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H14N6O2/c1-18-12-5-4-11(24-10-2-3-10)6-9(12)8-23-13-7-14(17)19-16-15(13)20-22-21-16/h4-7,10H,2-3,8H2,(H3,17,19,20,21,22)
InChIKeySJRVCTHATQEVEM-UHFFFAOYSA-N
MW322.33 g/mol
LogP2.61
Rot. Bonds5

About 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 140901817) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID140901817
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILES[C-]#[N+]c1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C16H14N6O2/c1-18-12-5-4-11(24-10-2-3-10)6-9(12)8-23-13-7-14(17)19-16-15(13)20-22-21-16/h4-7,10H,2-3,8H2,(H3,17,19,20,21,22)
InChIKeySJRVCTHATQEVEM-UHFFFAOYSA-N
XLogP2.61
TPSA103.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 140901817) is 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is [C-]#[N+]c1ccc(OC2CC2)cc1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is SJRVCTHATQEVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c1-18-12-5-4-11(24-10-2-3-10)6-9(12)8-23-13-7-14(17)19-16-15(13)20-22-21-16/h4-7,10H,2-3,8H2,(H3,17,19,20,21,22).
What are the key properties of 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 322.33 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-cyclopropyloxy-2-isocyanophenyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 140901817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).