N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H15N7O — CID 60505324

IUPACN-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(COc2cc(CNc3ccc4nnnn4n3)ccn2)cc1
InChIInChI=1S/C17H15N7O/c1-2-4-13(5-3-1)12-25-17-10-14(8-9-18-17)11-19-15-6-7-16-20-22-23-24(16)21-15/h1-10H,11-12H2,(H,19,21)
InChIKeyALKUVOJMJTVEGX-UHFFFAOYSA-N
MW333.36 g/mol
LogP2.11
Rot. Bonds6

About N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 60505324) has the molecular formula C17H15N7O and a molecular weight of 333.36 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID60505324
Molecular FormulaC17H15N7O
Molecular Weight333.36 g/mol
Exact Mass333.13
IUPAC NameN-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESc1ccc(COc2cc(CNc3ccc4nnnn4n3)ccn2)cc1
InChIInChI=1S/C17H15N7O/c1-2-4-13(5-3-1)12-25-17-10-14(8-9-18-17)11-19-15-6-7-16-20-22-23-24(16)21-15/h1-10H,11-12H2,(H,19,21)
InChIKeyALKUVOJMJTVEGX-UHFFFAOYSA-N
XLogP2.11
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 60505324) is N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is c1ccc(COc2cc(CNc3ccc4nnnn4n3)ccn2)cc1.
What is the InChIKey of N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is ALKUVOJMJTVEGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N7O/c1-2-4-13(5-3-1)12-25-17-10-14(8-9-18-17)11-19-15-6-7-16-20-22-23-24(16)21-15/h1-10H,11-12H2,(H,19,21).
What are the key properties of N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 333.36 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-4-pyridinyl)methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 60505324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).