(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol

C10H12ClN5O — CID 65362465

IUPAC(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
SMILESCn1ncc(C(O)c2cc(Cl)cnc2N)c1N
InChIInChI=1S/C10H12ClN5O/c1-16-10(13)7(4-15-16)8(17)6-2-5(11)3-14-9(6)12/h2-4,8,17H,13H2,1H3,(H2,12,14)
InChIKeyWWXUMNUWGKVUFR-UHFFFAOYSA-N
MW253.69 g/mol
LogP0.71
Rot. Bonds2

About (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol

(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol (PubChem CID 65362465) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
PubChem CID65362465
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol
SMILESCn1ncc(C(O)c2cc(Cl)cnc2N)c1N
InChIInChI=1S/C10H12ClN5O/c1-16-10(13)7(4-15-16)8(17)6-2-5(11)3-14-9(6)12/h2-4,8,17H,13H2,1H3,(H2,12,14)
InChIKeyWWXUMNUWGKVUFR-UHFFFAOYSA-N
XLogP0.71
TPSA102.98 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol?
The IUPAC name of (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol (CID 65362465) is (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol is Cn1ncc(C(O)c2cc(Cl)cnc2N)c1N.
What is the InChIKey of (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol?
The InChIKey is WWXUMNUWGKVUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-16-10(13)7(4-15-16)8(17)6-2-5(11)3-14-9(6)12/h2-4,8,17H,13H2,1H3,(H2,12,14).
What are the key properties of (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol?
(2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol has a molecular weight of 253.69 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-chloro-3-pyridinyl)-(5-amino-1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 65362465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).