1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol

C14H22N4O — CID 141116677

IUPAC1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol
SMILESOC1(c2cccnn2)CCC(N[C@H]2CCNC2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-2-1-8-16-18-13)6-3-11(4-7-14)17-12-5-9-15-10-12/h1-2,8,11-12,15,17,19H,3-7,9-10H2/t11?,12-,14?/m0/s1
InChIKeyKTIFCEIPAJXNAS-LXVYMNJGSA-N
MW262.36 g/mol
LogP0.56
Rot. Bonds3

About 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol

1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol (PubChem CID 141116677) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol
PubChem CID141116677
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol
SMILESOC1(c2cccnn2)CCC(N[C@H]2CCNC2)CC1
InChIInChI=1S/C14H22N4O/c19-14(13-2-1-8-16-18-13)6-3-11(4-7-14)17-12-5-9-15-10-12/h1-2,8,11-12,15,17,19H,3-7,9-10H2/t11?,12-,14?/m0/s1
InChIKeyKTIFCEIPAJXNAS-LXVYMNJGSA-N
XLogP0.56
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol (CID 141116677) is 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol is OC1(c2cccnn2)CCC(N[C@H]2CCNC2)CC1.
What is the InChIKey of 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol?
The InChIKey is KTIFCEIPAJXNAS-LXVYMNJGSA-N. The full InChI is InChI=1S/C14H22N4O/c19-14(13-2-1-8-16-18-13)6-3-11(4-7-14)17-12-5-9-15-10-12/h1-2,8,11-12,15,17,19H,3-7,9-10H2/t11?,12-,14?/m0/s1.
What are the key properties of 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol?
1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol has a molecular weight of 262.36 g/mol, XLogP of 0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridazin-3-yl-4-[[(3S)-pyrrolidin-3-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 141116677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).