3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol

C10H15N5O — CID 79821202

IUPAC3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESCNc1ccc2[nH]c(C(N)CCO)nc2n1
InChIInChI=1S/C10H15N5O/c1-12-8-3-2-7-10(14-8)15-9(13-7)6(11)4-5-16/h2-3,6,16H,4-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAUEQPPQEYNENDE-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.38
Rot. Bonds4

About 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol

3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol (PubChem CID 79821202) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
PubChem CID79821202
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESCNc1ccc2[nH]c(C(N)CCO)nc2n1
InChIInChI=1S/C10H15N5O/c1-12-8-3-2-7-10(14-8)15-9(13-7)6(11)4-5-16/h2-3,6,16H,4-5,11H2,1H3,(H2,12,13,14,15)
InChIKeyAUEQPPQEYNENDE-UHFFFAOYSA-N
XLogP0.38
TPSA99.85 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol (CID 79821202) is 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol is CNc1ccc2[nH]c(C(N)CCO)nc2n1.
What is the InChIKey of 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The InChIKey is AUEQPPQEYNENDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-12-8-3-2-7-10(14-8)15-9(13-7)6(11)4-5-16/h2-3,6,16H,4-5,11H2,1H3,(H2,12,13,14,15).
What are the key properties of 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol has a molecular weight of 221.26 g/mol, XLogP of 0.38, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[5-(methylamino)-1H-imidazo[4,5-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 79821202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).