1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride

C6H12Cl4N4O — CID 141030571

IUPAC1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1nc2ncccc2[nH]1.O
InChIInChI=1S/C6H6N4.4ClH.H2O/c7-6-9-4-2-1-3-8-5(4)10-6;;;;;/h1-3H,(H3,7,8,9,10);4*1H;1H2
InChIKeyFWVDIQSYYDAPMI-UHFFFAOYSA-N
MW298.00 g/mol
LogP1.40
Rot. Bonds

About 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride

1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride (PubChem CID 141030571) has the molecular formula C6H12Cl4N4O and a molecular weight of 298.00 g/mol. Its IUPAC name is 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride.

Molecular Properties

Compound Name1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride
PubChem CID141030571
Molecular FormulaC6H12Cl4N4O
Molecular Weight298.00 g/mol
Exact Mass295.98
IUPAC Name1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride
SMILESCl.Cl.Cl.Cl.Nc1nc2ncccc2[nH]1.O
InChIInChI=1S/C6H6N4.4ClH.H2O/c7-6-9-4-2-1-3-8-5(4)10-6;;;;;/h1-3H,(H3,7,8,9,10);4*1H;1H2
InChIKeyFWVDIQSYYDAPMI-UHFFFAOYSA-N
XLogP1.40
TPSA99.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.00
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1H-imidazo[4,5-b]pyridin-2-amine;methanesulfonic acid
CID 87607314
CID 59368109
CID 59368109
1H-imidazo[4,5-b]pyridine-2-carbothioamide
CID 86130577
3-(1H-imidazo[4,5-b]pyridin-2-yl)propan-1-amine;dihydrochloride
CID 45357286
1H-imidazo[4,5-b]pyridine-2-sulfonamide
CID 66709927
5-(1H-imidazo[4,5-b]pyridin-2-yl)-1H-pyrazol-3-amine
CID 135995622
5-(1H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine
CID 63259845
1H-benzimidazole-2,4-diamine;hydrochloride
CID 169014009
4-methyl-1H-benzimidazol-2-amine;trihydrate;trihydrochloride
CID 141030572
N-piperidin-4-yl-1H-imidazo[4,5-b]pyridin-2-amine;hydrochloride
CID 71637244
2-ethoxy-1H-imidazo[4,5-b]pyridine
CID 69016773
2-amino-6-(1H-imidazo[4,5-b]pyridin-2-yl)phenol
CID 136712580

Frequently Asked Questions

What is the IUPAC name of 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride?
The IUPAC name of 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride (CID 141030571) is 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride.
What is the SMILES notation for 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride?
The canonical SMILES for 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride is Cl.Cl.Cl.Cl.Nc1nc2ncccc2[nH]1.O.
What is the InChIKey of 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride?
The InChIKey is FWVDIQSYYDAPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N4.4ClH.H2O/c7-6-9-4-2-1-3-8-5(4)10-6;;;;;/h1-3H,(H3,7,8,9,10);4*1H;1H2.
What are the key properties of 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride?
1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride has a molecular weight of 298.00 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazo[4,5-b]pyridin-2-amine;hydrate;tetrahydrochloride is sourced from PubChem (CID 141030571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).