4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride

C15H25ClN4O2 — CID 120925257

IUPAC4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc2c1CCCC2NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H24N4O2.ClH/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)15(10-16)5-7-21-8-6-15;/h9,12H,2-8,10,16H2,1H3,(H,18,20);1H
InChIKeySYLKGNYWAAOXMB-UHFFFAOYSA-N
MW328.84 g/mol
LogP1.09
Rot. Bonds3

About 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride

4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride (PubChem CID 120925257) has the molecular formula C15H25ClN4O2 and a molecular weight of 328.84 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
PubChem CID120925257
Molecular FormulaC15H25ClN4O2
Molecular Weight328.84 g/mol
Exact Mass328.17
IUPAC Name4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride
SMILESCl.Cn1ncc2c1CCCC2NC(=O)C1(CN)CCOCC1
InChIInChI=1S/C15H24N4O2.ClH/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)15(10-16)5-7-21-8-6-15;/h9,12H,2-8,10,16H2,1H3,(H,18,20);1H
InChIKeySYLKGNYWAAOXMB-UHFFFAOYSA-N
XLogP1.09
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride?
The IUPAC name of 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride (CID 120925257) is 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride.
What is the SMILES notation for 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride?
The canonical SMILES for 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride is Cl.Cn1ncc2c1CCCC2NC(=O)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride?
The InChIKey is SYLKGNYWAAOXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.ClH/c1-19-13-4-2-3-12(11(13)9-17-19)18-14(20)15(10-16)5-7-21-8-6-15;/h9,12H,2-8,10,16H2,1H3,(H,18,20);1H.
What are the key properties of 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride?
4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride has a molecular weight of 328.84 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)oxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 120925257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).