3-amino-3-(6-amino-2-pyridinyl)propan-1-ol

C8H13N3O — CID 55292973

IUPAC3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
SMILESNc1cccc(C(N)CCO)n1
InChIInChI=1S/C8H13N3O/c9-6(4-5-12)7-2-1-3-8(10)11-7/h1-3,6,12H,4-5,9H2,(H2,10,11)
InChIKeyDJTCMTHNNVHMGJ-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.05
Rot. Bonds3

About 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol

3-amino-3-(6-amino-2-pyridinyl)propan-1-ol (PubChem CID 55292973) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
PubChem CID55292973
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name3-amino-3-(6-amino-2-pyridinyl)propan-1-ol
SMILESNc1cccc(C(N)CCO)n1
InChIInChI=1S/C8H13N3O/c9-6(4-5-12)7-2-1-3-8(10)11-7/h1-3,6,12H,4-5,9H2,(H2,10,11)
InChIKeyDJTCMTHNNVHMGJ-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol?
The IUPAC name of 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol (CID 55292973) is 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol?
The canonical SMILES for 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol is Nc1cccc(C(N)CCO)n1.
What is the InChIKey of 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol?
The InChIKey is DJTCMTHNNVHMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c9-6(4-5-12)7-2-1-3-8(10)11-7/h1-3,6,12H,4-5,9H2,(H2,10,11).
What are the key properties of 3-amino-3-(6-amino-2-pyridinyl)propan-1-ol?
3-amino-3-(6-amino-2-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-(6-amino-2-pyridinyl)propan-1-ol is sourced from PubChem (CID 55292973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).