(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane

C16H24N4 — CID 133116030

IUPAC(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1ccc(N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)nn1
InChIInChI=1S/C16H24N4/c1-12-2-7-16(18-17-12)20-10-14-5-6-15(11-20)19(9-14)8-13-3-4-13/h2,7,13-15H,3-6,8-11H2,1H3/t14-,15-/m0/s1
InChIKeyBFFKWTYQQVNFOW-GJZGRUSLSA-N
MW272.40 g/mol
LogP2.10
Rot. Bonds3

About (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane

(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane (PubChem CID 133116030) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane.

Molecular Properties

Compound Name(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane
PubChem CID133116030
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane
SMILESCc1ccc(N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)nn1
InChIInChI=1S/C16H24N4/c1-12-2-7-16(18-17-12)20-10-14-5-6-15(11-20)19(9-14)8-13-3-4-13/h2,7,13-15H,3-6,8-11H2,1H3/t14-,15-/m0/s1
InChIKeyBFFKWTYQQVNFOW-GJZGRUSLSA-N
XLogP2.10
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane with MolForge

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Related Compounds

4-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-6-methylpyrimidin-2-amine
CID 70745253
(1S,5S)-6-(cyclopropylmethyl)-3-(4-methoxypyrimidin-2-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 133128127
[(3R)-1-(6-methylpyridazin-3-yl)pyrrolidin-3-yl]methanamine
CID 94342238
1-[2-[(1R,5R)-6-(cyclopropylmethyl)-3,6-diazabicyclo[3.2.2]nonan-3-yl]-4-methylpyrimidin-5-yl]ethanone
CID 72891290
3-methyl-6-[3-(4-methylpiperazin-1-yl)azetidin-1-yl]pyridazine
CID 126891751
1-(6-methylpyridazin-3-yl)piperidin-4-amine
CID 61311173
3-[4-(bromomethyl)piperidin-1-yl]-6-methylpyridazine
CID 80670031
3-methyl-6-[4-[(1-methylpiperidin-4-yl)methyl]piperazin-1-yl]pyridazine
CID 171069967
3-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-6-methylpyridazine
CID 126901305
N-[[1-(6-methylpyridazin-3-yl)azetidin-3-yl]methyl]cyclobutanamine
CID 126916780
3-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]propan-1-ol
CID 19773570
(1S,5S)-6-(cyclobutylmethyl)-3-(2-methyl-5-propylpyrimidin-4-yl)-3,6-diazabicyclo[3.2.2]nonane
CID 133122340

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane?
The IUPAC name of (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane (CID 133116030) is (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane.
What is the SMILES notation for (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane?
The canonical SMILES for (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane is Cc1ccc(N2C[C@H]3CC[C@@H](C2)N(CC2CC2)C3)nn1.
What is the InChIKey of (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane?
The InChIKey is BFFKWTYQQVNFOW-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H24N4/c1-12-2-7-16(18-17-12)20-10-14-5-6-15(11-20)19(9-14)8-13-3-4-13/h2,7,13-15H,3-6,8-11H2,1H3/t14-,15-/m0/s1.
What are the key properties of (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane?
(1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane has a molecular weight of 272.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6-(cyclopropylmethyl)-3-(6-methylpyridazin-3-yl)-3,6-diazabicyclo[3.2.2]nonane is sourced from PubChem (CID 133116030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).