[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride

C13H14ClN5O — CID 135185949

IUPAC[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride
SMILESCl.NCc1cc(-n2ncc3c(CO)cccc32)ncn1
InChIInChI=1S/C13H13N5O.ClH/c14-5-10-4-13(16-8-15-10)18-12-3-1-2-9(7-19)11(12)6-17-18;/h1-4,6,8,19H,5,7,14H2;1H
InChIKeyDPEUSFMDBHDEEF-UHFFFAOYSA-N
MW291.74 g/mol
LogP1.19
Rot. Bonds3

About [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride

[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride (PubChem CID 135185949) has the molecular formula C13H14ClN5O and a molecular weight of 291.74 g/mol. Its IUPAC name is [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride.

Molecular Properties

Compound Name[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride
PubChem CID135185949
Molecular FormulaC13H14ClN5O
Molecular Weight291.74 g/mol
Exact Mass291.09
IUPAC Name[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride
SMILESCl.NCc1cc(-n2ncc3c(CO)cccc32)ncn1
InChIInChI=1S/C13H13N5O.ClH/c14-5-10-4-13(16-8-15-10)18-12-3-1-2-9(7-19)11(12)6-17-18;/h1-4,6,8,19H,5,7,14H2;1H
InChIKeyDPEUSFMDBHDEEF-UHFFFAOYSA-N
XLogP1.19
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.74
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride?
The IUPAC name of [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride (CID 135185949) is [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride.
What is the SMILES notation for [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride?
The canonical SMILES for [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride is Cl.NCc1cc(-n2ncc3c(CO)cccc32)ncn1.
What is the InChIKey of [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride?
The InChIKey is DPEUSFMDBHDEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O.ClH/c14-5-10-4-13(16-8-15-10)18-12-3-1-2-9(7-19)11(12)6-17-18;/h1-4,6,8,19H,5,7,14H2;1H.
What are the key properties of [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride?
[1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride has a molecular weight of 291.74 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-(aminomethyl)pyrimidin-4-yl]indazol-4-yl]methanol;hydrochloride is sourced from PubChem (CID 135185949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).