N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

C17H23N9 — CID 128981714

IUPACN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCn1nccc1[C@H]1[C@H](CNc2ccc3nnnn3n2)CCCN1C1CC1
InChIInChI=1S/C17H23N9/c1-24-14(8-9-19-24)17-12(3-2-10-25(17)13-4-5-13)11-18-15-6-7-16-20-22-23-26(16)21-15/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,21)/t12-,17+/m0/s1
InChIKeyLSSJJRSYBLOLIV-YVEFUNNKSA-N
MW353.43 g/mol
LogP1.28
Rot. Bonds5

About N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine

N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (PubChem CID 128981714) has the molecular formula C17H23N9 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
PubChem CID128981714
Molecular FormulaC17H23N9
Molecular Weight353.43 g/mol
Exact Mass353.21
IUPAC NameN-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine
SMILESCn1nccc1[C@H]1[C@H](CNc2ccc3nnnn3n2)CCCN1C1CC1
InChIInChI=1S/C17H23N9/c1-24-14(8-9-19-24)17-12(3-2-10-25(17)13-4-5-13)11-18-15-6-7-16-20-22-23-26(16)21-15/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,21)/t12-,17+/m0/s1
InChIKeyLSSJJRSYBLOLIV-YVEFUNNKSA-N
XLogP1.28
TPSA89.06 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The IUPAC name of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine (CID 128981714) is N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine.
What is the SMILES notation for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The canonical SMILES for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is Cn1nccc1[C@H]1[C@H](CNc2ccc3nnnn3n2)CCCN1C1CC1.
What is the InChIKey of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
The InChIKey is LSSJJRSYBLOLIV-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H23N9/c1-24-14(8-9-19-24)17-12(3-2-10-25(17)13-4-5-13)11-18-15-6-7-16-20-22-23-26(16)21-15/h6-9,12-13,17H,2-5,10-11H2,1H3,(H,18,21)/t12-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine?
N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine has a molecular weight of 353.43 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]tetrazolo[1,5-b]pyridazin-6-amine is sourced from PubChem (CID 128981714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).