3-amino-3-(5-amino-3-pyridinyl)propan-1-ol

C8H13N3O — CID 55292622

IUPAC3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
SMILESNc1cncc(C(N)CCO)c1
InChIInChI=1S/C8H13N3O/c9-7-3-6(4-11-5-7)8(10)1-2-12/h3-5,8,12H,1-2,9-10H2
InChIKeyJSWGOCBCHUXEBZ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol

3-amino-3-(5-amino-3-pyridinyl)propan-1-ol (PubChem CID 55292622) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
PubChem CID55292622
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-3-(5-amino-3-pyridinyl)propan-1-ol
SMILESNc1cncc(C(N)CCO)c1
InChIInChI=1S/C8H13N3O/c9-7-3-6(4-11-5-7)8(10)1-2-12/h3-5,8,12H,1-2,9-10H2
InChIKeyJSWGOCBCHUXEBZ-UHFFFAOYSA-N
XLogP0.05
TPSA85.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R)-1-amino-3-hydroxypropyl]pyridin-3-ol
CID 55291948
4-amino-4-(5-amino-3-pyridinyl)butanoic acid
CID 55269479
(3R)-3-amino-3-(4-aminophenyl)propan-1-ol
CID 25417365
5-[(1R)-1-aminoethyl]pyridin-3-amine
CID 55275207
(1S,2S)-1-amino-1-(5-amino-3-pyridinyl)propan-2-ol
CID 55291623
5-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274382
5-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55270823
3-amino-3-pyridin-4-ylpropan-1-ol;dihydrochloride
CID 122156680
(1S,2R)-2-amino-1-(5-amino-3-pyridinyl)-3-methylbutan-1-ol
CID 131014604
5-[(1R)-1-aminobutyl]pyridin-3-ol
CID 55276968
(3R)-3-amino-3-(2-amino-4-pyridinyl)propan-1-ol
CID 55293388
(3S)-3-amino-3-(2-chloropyrimidin-5-yl)propan-1-ol
CID 130665412

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol (CID 55292622) is 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol is Nc1cncc(C(N)CCO)c1.
What is the InChIKey of 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol?
The InChIKey is JSWGOCBCHUXEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-7-3-6(4-11-5-7)8(10)1-2-12/h3-5,8,12H,1-2,9-10H2.
What are the key properties of 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol?
3-amino-3-(5-amino-3-pyridinyl)propan-1-ol has a molecular weight of 167.21 g/mol, XLogP of 0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-amino-3-pyridinyl)propan-1-ol is sourced from PubChem (CID 55292622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).